G813-0009 Screening compound: 2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one

G813-0009 Screening compound: 2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one
G813-0009 Screening compound: 2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G813-0009
2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-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

G813-0009

Molecular Formula

C21H30N4OS (C21 H30 N4 OS)

Compound Name

2-[({3-cyclohexyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one

IUPAC name

2-[({3-cyclohexyl-3H-imidazo[45-b]pyridin-2-yl}methyl)sulfanyl]-1-(4-methylpiperidin-1-yl)ethan-1-one

SMILES

CC(CC1)CCN1C(CSCc(n1C2CCCCC2)nc2c1nccc2)=O

InChI

InChI=1S/C21H30N4OS/c1-16-9-12-24(13-10-16)20(26)15-27-14-19-23-18-8-5-11-22-21(18)25(19)17-6-3-2-4-7-17/h5,8,11,16-17H,2-4,6-7,9-10,12-15H2,1H3

InChI Key

BQWNCHITEDMAQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15038651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.907

Distribution Coefficient, logD

3.907

Water Solubility, LogSw

-3.75

Polar Surface Area

37.747

Acid Dissociation Constant (pKa)

18.50

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

G813-0009 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G813-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G813-0009?
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What is the minimum amount of G813-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G813-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G813-0009
  • 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 G813-0009 available by request