C797-0690 Screening compound: 4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

C797-0690 Screening compound: 4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
C797-0690 Screening compound: 4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0690
4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide

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

C797-0690

Molecular Formula

C31H27FN4OS (C31 H27 FN4 OS)

Compound Name

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

IUPAC name

4-[({3-[(2-fluorophenyl)methyl]-3H-imidazo[45-c]pyridin-2-yl}sulfanyl)methyl]-N-(1234-tetrahydronaphthalen-1-yl)benzamide

SMILES

O=C(c1ccc(CSc2nc(ccnc3)c3n2Cc(cccc2)c2F)cc1)NC(CCC1)c2c1cccc2

InChI

InChI=1S/C31H27FN4OS/c32-26-10-4-2-7-24(26)19-36-29-18-33-17-16-28(29)35-31(36)38-20-21-12-14-23(15-13-21)30(37)34-27-11-5-8-22-6-1-3-9-25(22)27/h1-4,6-7,9-10,12-18,27H,5,8,11,19-20H2,(H,34,37)/t27-/m0/s1

InChI Key

ZMKSSIAODFOUFY-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14798287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.65

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.332

Distribution Coefficient, logD

6.330

Water Solubility, LogSw

-5.73

Polar Surface Area

44.252

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

5.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.40

C797-0690 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 C797-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C797-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0690
  • 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 C797-0690 available by request