C201-1074 Screening compound: N-(4-methylphenyl)-3-({[(3,4,5-trimethoxyphenyl)carbamoyl]methyl}sulfanyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C201-1074 Screening compound: N-(4-methylphenyl)-3-({[(3,4,5-trimethoxyphenyl)carbamoyl]methyl}sulfanyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
C201-1074 Screening compound: N-(4-methylphenyl)-3-({[(3,4,5-trimethoxyphenyl)carbamoyl]methyl}sulfanyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1074
N-(4-methylphenyl)-3-({[(3,4,5-trimethoxyphenyl)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

C201-1074

Molecular Formula

C25H25N5O5S (C25 H25 N5 O5 S)

Compound Name

N-(4-methylphenyl)-3-({[(3,4,5-trimethoxyphenyl)carbamoyl]methyl}sulfanyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

IUPAC name

N-(4-methylphenyl)-3-({[(345-trimethoxyphenyl)carbamoyl]methyl}sulfanyl)-[124]triazolo[43-a]pyridine-6-carboxamide

SMILES

Cc(cc1)ccc1NC(c1cn2c(SCC(Nc(cc3OC)cc(OC)c3OC)=O)nnc2cc1)=O

InChI

InChI=1S/C25H25N5O5S/c1-15-5-8-17(9-6-15)27-24(32)16-7-10-21-28-29-25(30(21)13-16)36-14-22(31)26-18-11-19(33-2)23(35-4)20(12-18)34-3/h5-13H,14H2,1-4H3,(H,26,31)(H,27,32)

InChI Key

PMZYRKASACZMEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.164

Distribution Coefficient, logD

3.164

Water Solubility, LogSw

-3.39

Polar Surface Area

91.270

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C201-1074 in Drug Discovery

Included in Screening Libraries

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

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C201-1074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1074?
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What is the minimum amount of C201-1074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1074
  • 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 C201-1074 available by request