C797-1057 Screening compound: 2-{4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline

C797-1057 Screening compound: 2-{4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline
C797-1057 Screening compound: 2-{4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1057
2-{4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline

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

C797-1057

Molecular Formula

C30H25FN4OS (C30 H25 FN4 OS)

Compound Name

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

IUPAC name

2-{4-[(2-{[(4-fluorophenyl)methyl]sulfanyl}-3H-imidazo[45-c]pyridin-3-yl)methyl]benzoyl}-1234-tetrahydroisoquinoline

SMILES

O=C(c1ccc(Cn2c(SCc(cc3)ccc3F)nc3c2cncc3)cc1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C30H25FN4OS/c31-26-11-7-22(8-12-26)20-37-30-33-27-13-15-32-17-28(27)35(30)18-21-5-9-24(10-6-21)29(36)34-16-14-23-3-1-2-4-25(23)19-34/h1-13,15,17H,14,16,18-20H2

InChI Key

GKWLXKKPRPOJDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14798519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.62

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

5.374

Distribution Coefficient, logD

5.371

Water Solubility, LogSw

-5.48

Polar Surface Area

36.305

Acid Dissociation Constant (pKa)

22.95

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C797-1057 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C797-1057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1057?
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What is the minimum amount of C797-1057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1057
  • 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 C797-1057 available by request