L631-0646 Screening compound: 1-{5-benzoyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

Chemical Structure Depiction of ChemDiv screening compound L631-0646
1-{5-benzoyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}-N-[(5-methylfuran-2-yl)methyl]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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

L631-0646

Molecular Formula

C₂₇H₃₁N₅O₄ (C27 H31 N5 O4)

Compound Name

1-{5-benzoyl-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl}-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

IUPAC name

1-{5-benzoyl-1-methyl-1H4H5H6H7H-pyrazolo[43-c]pyridine-3-carbonyl}-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

SMILES

Cc1ccc(CNC(C(CC2)CCN2C(c2nn(C)c(CC3)c2CN3C(c2ccccc2)=O)=O)=O)o1

InChI

InChI=1S/C27H31N5O4/c1-18-8-9-21(36-18)16-28-25(33)19-10-13-31(14-11-19)27(35)24-22-17-32(15-12-23(22)30(2)29-24)26(34)20-6-4-3-5-7-20/h3-9,19H,10-17H2,1-2H3,(H,28,33)

InChI Key

JTLVZDJADJDSCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27466694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

1.321

Distribution Coefficient, logD

1.321

Water Solubility, LogSw

-1.99

Polar Surface Area

79.891

Acid Dissociation Constant (pK_a)

12.38

Base Dissociation Constant (pK_b)

1.46

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

40.70

L631-0646 in Drug Discovery

Included in Screening Libraries

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 L631-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L631-0646?
Check Price and Availability of L631-0646, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.

What is the minimum amount of L631-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for L631-0646
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for L631-0646

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 L631-0646 available by request