C201-1068 Screening compound: 3-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C201-1068 Screening compound: 3-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
C201-1068 Screening compound: 3-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-N-(4-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C201-1068
3-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-N-(4-methylphenyl)-[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

C201-1068

Molecular Formula

C23H21N5O3S (C23 H21 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1NC(c1cn2c(SCC(Nc(cc3)ccc3OC)=O)nnc2cc1)=O

InChI

InChI=1S/C23H21N5O3S/c1-15-3-6-18(7-4-15)25-22(30)16-5-12-20-26-27-23(28(20)13-16)32-14-21(29)24-17-8-10-19(31-2)11-9-17/h3-13H,14H2,1-2H3,(H,24,29)(H,25,30)

InChI Key

HNZSOFKFWBHEHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14729585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.52

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

3.766

Distribution Coefficient, logD

3.766

Water Solubility, LogSw

-3.85

Polar Surface Area

75.836

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C201-1068 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C201-1068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C201-1068?
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What is the minimum amount of C201-1068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C201-1068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C201-1068
  • 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 C201-1068 available by request