L631-0176 Screening compound: N-cycloheptyl-1-[1-methyl-5-(2-methylpropanoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxamide

L631-0176 Screening compound: N-cycloheptyl-1-[1-methyl-5-(2-methylpropanoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxamide
L631-0176 Screening compound: N-cycloheptyl-1-[1-methyl-5-(2-methylpropanoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L631-0176
N-cycloheptyl-1-[1-methyl-5-(2-methylpropanoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxamide

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

L631-0176

Molecular Formula

C25H39N5O3 (C25 H39 N5 O3)

Compound Name

N-cycloheptyl-1-[1-methyl-5-(2-methylpropanoyl)-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl]piperidine-4-carboxamide

IUPAC name

N-cycloheptyl-1-[1-methyl-5-(2-methylpropanoyl)-1H4H5H6H7H-pyrazolo[43-c]pyridine-3-carbonyl]piperidine-4-carboxamide

SMILES

CC(C)C(N(CC1)Cc2c1n(C)nc2C(N(CC1)CCC1C(NC1CCCCCC1)=O)=O)=O

InChI

InChI=1S/C25H39N5O3/c1-17(2)24(32)30-15-12-21-20(16-30)22(27-28(21)3)25(33)29-13-10-18(11-14-29)23(31)26-19-8-6-4-5-7-9-19/h17-19H,4-16H2,1-3H3,(H,26,31)

InChI Key

VDTHTKUZMPMICY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27466666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.979

Distribution Coefficient, logD

1.979

Water Solubility, LogSw

-2.24

Polar Surface Area

72.956

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

10.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.00

L631-0176 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)

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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with L631-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L631-0176?
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What is the minimum amount of L631-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L631-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L631-0176
  • 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 L631-0176 available by request