G812-0006 Screening compound: 1-{4-[3-(3-methylbutyl)-3H-imidazo[4,5-b]pyridin-2-yl]butanoyl}piperidine-4-carboxamide

G812-0006 Screening compound: 1-{4-[3-(3-methylbutyl)-3H-imidazo[4,5-b]pyridin-2-yl]butanoyl}piperidine-4-carboxamide
G812-0006 Screening compound: 1-{4-[3-(3-methylbutyl)-3H-imidazo[4,5-b]pyridin-2-yl]butanoyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G812-0006
1-{4-[3-(3-methylbutyl)-3H-imidazo[4,5-b]pyridin-2-yl]butanoyl}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

G812-0006

Molecular Formula

C21H31N5O2 (C21 H31 N5 O2)

Compound Name

1-{4-[3-(3-methylbutyl)-3H-imidazo[4,5-b]pyridin-2-yl]butanoyl}piperidine-4-carboxamide

IUPAC name

1-{4-[3-(3-methylbutyl)-3H-imidazo[45-b]pyridin-2-yl]butanoyl}piperidine-4-carboxamide

SMILES

CC(C)CCn1c(nccc2)c2nc1CCCC(N(CC1)CCC1C(N)=O)=O

InChI

InChI=1S/C21H31N5O2/c1-15(2)8-14-26-18(24-17-5-4-11-23-21(17)26)6-3-7-19(27)25-12-9-16(10-13-25)20(22)28/h4-5,11,15-16H,3,6-10,12-14H2,1-2H3,(H2,22,28)

InChI Key

ZSJSCCKRHBXZCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.708

Distribution Coefficient, logD

1.708

Water Solubility, LogSw

-1.76

Polar Surface Area

71.480

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

G812-0006 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with G812-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G812-0006?
Check Price and Availability of G812-0006, 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 G812-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G812-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G812-0006
  • 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 G812-0006 available by request