C201-1403 Screening compound: N-(4-methoxyphenyl)-3-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C201-1403 Screening compound: N-(4-methoxyphenyl)-3-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
C201-1403 Screening compound: N-(4-methoxyphenyl)-3-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1403
N-(4-methoxyphenyl)-3-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

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

C201-1403

Molecular Formula

C25H25N5O3S (C25 H25 N5 O3 S)

Compound Name

N-(4-methoxyphenyl)-3-({[(2,4,6-trimethylphenyl)carbamoyl]methyl}sulfanyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

IUPAC name

N-(4-methoxyphenyl)-3-({[(246-trimethylphenyl)carbamoyl]methyl}sulfanyl)-[124]triazolo[43-a]pyridine-6-carboxamide

SMILES

Cc(cc1C)cc(C)c1NC(CSc1nnc(cc2)n1cc2C(Nc(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C25H25N5O3S/c1-15-11-16(2)23(17(3)12-15)27-22(31)14-34-25-29-28-21-10-5-18(13-30(21)25)24(32)26-19-6-8-20(33-4)9-7-19/h5-13H,14H2,1-4H3,(H,26,32)(H,27,31)

InChI Key

RBVDADFNRRLIKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.856

Distribution Coefficient, logD

3.856

Water Solubility, LogSw

-3.90

Polar Surface Area

74.441

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C201-1403 in Drug Discovery

Included in Screening Libraries

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C201-1403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1403?
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What is the minimum amount of C201-1403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1403
  • 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 C201-1403 available by request