E643-0249 Screening compound: 2-(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)-N-[4-(propan-2-yl)phenyl]butanamide

E643-0249 Screening compound: 2-(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)-N-[4-(propan-2-yl)phenyl]butanamide
E643-0249 Screening compound: 2-(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)-N-[4-(propan-2-yl)phenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-0249
2-(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)-N-[4-(propan-2-yl)phenyl]butanamide

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

E643-0249

Molecular Formula

C26H27FN4OS (C26 H27 FN4 OS)

Compound Name

2-(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)-N-[4-(propan-2-yl)phenyl]butanamide

IUPAC name

2-(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[45-b]pyridin-3-yl)-N-[4-(propan-2-yl)phenyl]butanamide

SMILES

CCC(C(Nc1ccc(C(C)C)cc1)=O)n1c(SCc(cc2)ccc2F)nc2c1nccc2

InChI

InChI=1S/C26H27FN4OS/c1-4-23(25(32)29-21-13-9-19(10-14-21)17(2)3)31-24-22(6-5-15-28-24)30-26(31)33-16-18-7-11-20(27)12-8-18/h5-15,17,23H,4,16H2,1-3H3,(H,29,32)/t23-/m0/s1

InChI Key

KCFXQPPEOOZJMP-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14906987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.936

Distribution Coefficient, logD

5.936

Water Solubility, LogSw

-5.43

Polar Surface Area

44.027

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

2.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

E643-0249 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 E643-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-0249?
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What is the minimum amount of E643-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-0249
  • 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 E643-0249 available by request