E643-1036 Screening compound: N-(4-bromo-2-fluorophenyl)-2-(2-{[(2-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)acetamide

E643-1036 Screening compound: N-(4-bromo-2-fluorophenyl)-2-(2-{[(2-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)acetamide
E643-1036 Screening compound: N-(4-bromo-2-fluorophenyl)-2-(2-{[(2-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E643-1036
N-(4-bromo-2-fluorophenyl)-2-(2-{[(2-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)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

E643-1036

Molecular Formula

C21H15BrF2N4OS (C21 H15 BrF2 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cn1c(SCc(cccc2)c2F)nc2cccnc12)Nc(ccc(Br)c1)c1F

InChI

InChI=1S/C21H15BrF2N4OS/c22-14-7-8-17(16(24)10-14)26-19(29)11-28-20-18(6-3-9-25-20)27-21(28)30-12-13-4-1-2-5-15(13)23/h1-10H,11-12H2,(H,26,29)

InChI Key

TXZNEKUGDISWKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.360

Distribution Coefficient, logD

5.342

Water Solubility, LogSw

-5.59

Polar Surface Area

42.836

Acid Dissociation Constant (pKa)

8.76

Base Dissociation Constant (pKb)

2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

E643-1036 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E643-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E643-1036?
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What is the minimum amount of E643-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E643-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E643-1036
  • 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 E643-1036 available by request