C301-9187 Screening compound: 3-[4-({5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-1-(4-methylphenyl)urea

C301-9187 Screening compound: 3-[4-({5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-1-(4-methylphenyl)urea
C301-9187 Screening compound: 3-[4-({5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-1-(4-methylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9187
3-[4-({5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-1-(4-methylphenyl)urea

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

C301-9187

Molecular Formula

C21H20N6OS (C21 H20 N6 OS)

Compound Name

3-[4-({5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]-1-(4-methylphenyl)urea

IUPAC name

3-[4-({56-dimethyl-[124]triazolo[15-a]pyrimidin-7-yl}sulfanyl)phenyl]-1-(4-methylphenyl)urea

SMILES

Cc(cc1)ccc1NC(Nc(cc1)ccc1Sc1c(C)c(C)nc2ncnn12)=O

InChI

InChI=1S/C21H20N6OS/c1-13-4-6-16(7-5-13)25-21(28)26-17-8-10-18(11-9-17)29-19-14(2)15(3)24-20-22-12-23-27(19)20/h4-12H,1-3H3,(H2,25,26,28)

InChI Key

YIOLLVLOEQDQLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.938

Distribution Coefficient, logD

4.938

Water Solubility, LogSw

-4.59

Polar Surface Area

64.599

Acid Dissociation Constant (pKa)

13.47

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C301-9187 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C301-9187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9187?
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What is the minimum amount of C301-9187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9187
  • 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 C301-9187 available by request