C301-9011 Screening compound: 2-(4-chlorophenyl)-N-[2-({5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]acetamide

C301-9011 Screening compound: 2-(4-chlorophenyl)-N-[2-({5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]acetamide
C301-9011 Screening compound: 2-(4-chlorophenyl)-N-[2-({5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9011
2-(4-chlorophenyl)-N-[2-({5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]acetamide

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

C301-9011

Molecular Formula

C21H18ClN5OS (C21 H18 ClN5 OS)

Compound Name

2-(4-chlorophenyl)-N-[2-({5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]acetamide

IUPAC name

2-(4-chlorophenyl)-N-[2-({56-dimethyl-[124]triazolo[15-a]pyrimidin-7-yl}sulfanyl)phenyl]acetamide

SMILES

Cc(c(C)nc1ncnn11)c1Sc(cccc1)c1NC(Cc(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H18ClN5OS/c1-13-14(2)25-21-23-12-24-27(21)20(13)29-18-6-4-3-5-17(18)26-19(28)11-15-7-9-16(22)10-8-15/h3-10,12H,11H2,1-2H3,(H,26,28)

InChI Key

MWTVOATZRKMRDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.988

Distribution Coefficient, logD

3.988

Water Solubility, LogSw

-4.42

Polar Surface Area

54.476

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C301-9011 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-9011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9011?
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What is the minimum amount of C301-9011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9011
  • 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 C301-9011 available by request