L631-0191 Screening compound: 1-{3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-methylpropan-1-one

L631-0191 Screening compound: 1-{3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-methylpropan-1-one
L631-0191 Screening compound: 1-{3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-methylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L631-0191
1-{3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-methylpropan-1-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L631-0191

Molecular Formula

C24H37N5O3 (C24 H37 N5 O3)

Compound Name

1-{3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-5-yl}-2-methylpropan-1-one

IUPAC name

1-{3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridin-5-yl}-2-methylpropan-1-one

SMILES

CC(C)C(N(CC1)Cc2c1n(C)nc2C(N(CC1)CCC1C(N1CCCCCC1)=O)=O)=O

InChI

InChI=1S/C24H37N5O3/c1-17(2)22(30)29-15-10-20-19(16-29)21(25-26(20)3)24(32)28-13-8-18(9-14-28)23(31)27-11-6-4-5-7-12-27/h17-18H,4-16H2,1-3H3

InChI Key

MKSBTCFKOJCJHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27466668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.441

Distribution Coefficient, logD

1.441

Water Solubility, LogSw

-1.40

Polar Surface Area

65.466

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

10.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

L631-0191 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

GPCR Targeted Library (31838 compounds)

Hsp90-Targeted Library (11355 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with L631-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L631-0191?
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What is the minimum amount of L631-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L631-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L631-0191
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of L631-0191 available by request