C797-1049 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzamide

C797-1049 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzamide
C797-1049 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C797-1049
N-[(1-ethylpyrrolidin-2-yl)methyl]-4-[(2-{[(4-methylphenyl)methyl]sulfanyl}-3H-imidazo[4,5-c]pyridin-3-yl)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

C797-1049

Molecular Formula

C29H33N5OS (C29 H33 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCN1C(CNC(c2ccc(Cn3c(SCc4ccc(C)cc4)nc4c3cncc4)cc2)=O)CCC1

InChI

InChI=1S/C29H33N5OS/c1-3-33-16-4-5-25(33)17-31-28(35)24-12-10-22(11-13-24)19-34-27-18-30-15-14-26(27)32-29(34)36-20-23-8-6-21(2)7-9-23/h6-15,18,25H,3-5,16-17,19-20H2,1-2H3,(H,31,35)/t25-/m1/s1

InChI Key

NTEKXBYXGLDZIF-RUZDIDTESA-N

MDL Number (MFCD)

MFCD14798511

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

4.479

Distribution Coefficient, logD

3.939

Water Solubility, LogSw

-3.91

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

C797-1049 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

MCL1 Targeted Library (12200 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C797-1049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C797-1049?
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What is the minimum amount of C797-1049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C797-1049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C797-1049
  • 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 C797-1049 available by request