C301-9121 Screening compound: 4-chloro-N-[1,5-dimethyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzene-1-sulfonamide

C301-9121 Screening compound: 4-chloro-N-[1,5-dimethyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzene-1-sulfonamide
C301-9121 Screening compound: 4-chloro-N-[1,5-dimethyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9121
4-chloro-N-[1,5-dimethyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]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

C301-9121

Molecular Formula

C13H13ClN6O2S (C13 H13 ClN6 O2 S)

Compound Name

4-chloro-N-[1,5-dimethyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]benzene-1-sulfonamide

IUPAC name

4-chloro-N-[15-dimethyl-3-(4H-124-triazol-4-yl)-1H-pyrazol-4-yl]benzene-1-sulfonamide

SMILES

Cc(n(C)nc1-n2cnnc2)c1NS(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C13H13ClN6O2S/c1-9-12(13(17-19(9)2)20-7-15-16-8-20)18-23(21,22)11-5-3-10(14)4-6-11/h3-8,18H,1-2H3

InChI Key

BEQWWRCFCWGSGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.8

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.872

Distribution Coefficient, logD

-3.468

Water Solubility, LogSw

-2.75

Polar Surface Area

79.720

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C301-9121 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-9121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9121?
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What is the minimum amount of C301-9121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9121
  • 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 C301-9121 available by request