C301-9987 Screening compound: 4-bromo-N-[4-({6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]benzene-1-sulfonamide

C301-9987 Screening compound: 4-bromo-N-[4-({6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]benzene-1-sulfonamide
C301-9987 Screening compound: 4-bromo-N-[4-({6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9987
4-bromo-N-[4-({6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]benzene-1-sulfonamide

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

C301-9987

Molecular Formula

C20H18BrN5O2S2 (C20 H18 BrN5 O2 S2)

Compound Name

4-bromo-N-[4-({6-ethyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}sulfanyl)phenyl]benzene-1-sulfonamide

IUPAC name

4-bromo-N-[4-({6-ethyl-5-methyl-[124]triazolo[15-a]pyrimidin-7-yl}sulfanyl)phenyl]benzene-1-sulfonamide

SMILES

CCc(c(C)nc1ncnn11)c1Sc(cc1)ccc1NS(c(cc1)ccc1Br)(=O)=O

InChI

InChI=1S/C20H18BrN5O2S2/c1-3-18-13(2)24-20-22-12-23-26(20)19(18)29-16-8-6-15(7-9-16)25-30(27,28)17-10-4-14(21)5-11-17/h4-12,25H,3H2,1-2H3

InChI Key

HHRDWEFLSLDZSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14746259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.142

Distribution Coefficient, logD

5.082

Water Solubility, LogSw

-5.07

Polar Surface Area

72.945

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

C301-9987 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-9987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9987?
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What is the minimum amount of C301-9987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9987
  • 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 C301-9987 available by request