E642-0207 Screening compound: 1-{4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzoyl}-2,3-dihydro-1H-indole

E642-0207 Screening compound: 1-{4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzoyl}-2,3-dihydro-1H-indole
E642-0207 Screening compound: 1-{4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)methyl]benzoyl}-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound E642-0207
1-{4-[({3-[(4-fluorophenyl)methyl]-3H-imidazo[4,5-b]pyridin-2-yl}sulfanyl)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

E642-0207

Molecular Formula

C29H23FN4OS (C29 H23 FN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(CSc(n2Cc(cc3)ccc3F)nc3c2nccc3)cc1)N(CC1)c2c1cccc2

InChI

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

InChI Key

ASQQILLAZQKONR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906624

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

5.414

Distribution Coefficient, logD

5.414

Water Solubility, LogSw

-5.68

Polar Surface Area

36.063

Acid Dissociation Constant (pKa)

18.81

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

E642-0207 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 E642-0207 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E642-0207?
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What is the minimum amount of E642-0207 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E642-0207
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E642-0207
  • 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 E642-0207 available by request