C797-0859 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide

C797-0859 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide
C797-0859 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-0859
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[({3-[(2-methylphenyl)methyl]-3H-imidazo[4,5-c]pyridin-2-yl}sulfanyl)methyl]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

C797-0859

Molecular Formula

C29H33N5OS (C29 H33 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCN1C(CNC(c2ccc(CSc3nc(ccnc4)c4n3Cc3c(C)cccc3)cc2)=O)CCC1

InChI

InChI=1S/C29H33N5OS/c1-3-33-16-6-9-25(33)17-31-28(35)23-12-10-22(11-13-23)20-36-29-32-26-14-15-30-18-27(26)34(29)19-24-8-5-4-7-21(24)2/h4-5,7-8,10-15,18,25H,3,6,9,16-17,19-20H2,1-2H3,(H,31,35)/t25-/m1/s1

InChI Key

CILFLTMCNNWMSU-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14798407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.812

Distribution Coefficient, logD

4.272

Water Solubility, LogSw

-4.23

Polar Surface Area

48.315

Acid Dissociation Constant (pKa)

12.12

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

C797-0859 in Drug Discovery

Included in Screening Libraries

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

Nucleic Acid Ligands (8311 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C797-0859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-0859?
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What is the minimum amount of C797-0859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-0859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-0859
  • 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 C797-0859 available by request