E642-1092 Screening compound: 1-{4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]benzoyl}-2,3-dihydro-1H-indole

E642-1092 Screening compound: 1-{4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]benzoyl}-2,3-dihydro-1H-indole
E642-1092 Screening compound: 1-{4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]benzoyl}-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-1092
1-{4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]benzoyl}-2,3-dihydro-1H-indole

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

E642-1092

Molecular Formula

C29H23FN4OS (C29 H23 FN4 OS)

Compound Name

1-{4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-b]pyridin-3-yl)methyl]benzoyl}-2,3-dihydro-1H-indole

IUPAC name

1-{4-[(2-{[(3-fluorophenyl)methyl]sulfanyl}-3H-imidazo[45-b]pyridin-3-yl)methyl]benzoyl}-23-dihydro-1H-indole

SMILES

O=C(c1ccc(Cn2c(SCc3cc(F)ccc3)nc3c2nccc3)cc1)N(CC1)c2c1cccc2

InChI

InChI=1S/C29H23FN4OS/c30-24-7-3-5-21(17-24)19-36-29-32-25-8-4-15-31-27(25)34(29)18-20-10-12-23(13-11-20)28(35)33-16-14-22-6-1-2-9-26(22)33/h1-13,15,17H,14,16,18-19H2

InChI Key

GOIFKEZDLICBJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.785

Distribution Coefficient, logD

5.784

Water Solubility, LogSw

-6.02

Polar Surface Area

36.063

Acid Dissociation Constant (pKa)

19.27

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

E642-1092 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 E642-1092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-1092?
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What is the minimum amount of E642-1092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-1092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-1092
  • 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 E642-1092 available by request