4137-0165 Screening compound: N-[4-(butan-2-yl)phenyl]-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamide

4137-0165 Screening compound: N-[4-(butan-2-yl)phenyl]-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamide
4137-0165 Screening compound: N-[4-(butan-2-yl)phenyl]-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4137-0165
N-[4-(butan-2-yl)phenyl]-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamide

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

4137-0165

Molecular Formula

C18H20N4OS (C18 H20 N4 OS)

Compound Name

N-[4-(butan-2-yl)phenyl]-2-{3H-imidazo[4,5-b]pyridin-2-ylsulfanyl}acetamide

IUPAC name

N-[4-(butan-2-yl)phenyl]-2-{3H-imidazo[45-b]pyridin-2-ylsulfanyl}acetamide

SMILES

CCC(C)c(cc1)ccc1NC(CSc([nH]1)nc2c1nccc2)=O

InChI

InChI=1S/C18H20N4OS/c1-3-12(2)13-6-8-14(9-7-13)20-16(23)11-24-18-21-15-5-4-10-19-17(15)22-18/h4-10,12H,3,11H2,1-2H3,(H,20,23)(H,19,21,22)/t12-/m0/s1

InChI Key

KKKPEDNKFYNOQP-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD02914994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.903

Distribution Coefficient, logD

3.895

Water Solubility, LogSw

-3.85

Polar Surface Area

51.503

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

4137-0165 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 4137-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4137-0165?
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What is the minimum amount of 4137-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4137-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4137-0165
  • 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 4137-0165 available by request