C301-9718 Screening compound: 1,3-dimethyl-N-[3-methyl-5-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

C301-9718 Screening compound: 1,3-dimethyl-N-[3-methyl-5-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
C301-9718 Screening compound: 1,3-dimethyl-N-[3-methyl-5-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9718
1,3-dimethyl-N-[3-methyl-5-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-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

C301-9718

Molecular Formula

C15H16N8O3S (C15 H16 N8 O3 S)

Compound Name

1,3-dimethyl-N-[3-methyl-5-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

IUPAC name

13-dimethyl-N-[3-methyl-5-(4H-124-triazol-4-yl)-1H-pyrazol-4-yl]-2-oxo-23-dihydro-1H-13-benzodiazole-5-sulfonamide

SMILES

Cc1n[nH]c(-n2cnnc2)c1NS(c(cc1)cc(N2C)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C15H16N8O3S/c1-9-13(14(19-18-9)23-7-16-17-8-23)20-27(25,26)10-4-5-11-12(6-10)22(3)15(24)21(11)2/h4-8,20H,1-3H3,(H,18,19)

InChI Key

BIXOSLXIRJDAAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.135

Distribution Coefficient, logD

-2.284

Water Solubility, LogSw

-2.45

Polar Surface Area

106.480

Acid Dissociation Constant (pKa)

5.25

Base Dissociation Constant (pKb)

3.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C301-9718 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C301-9718 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9718?
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What is the minimum amount of C301-9718 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9718
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9718
  • 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 C301-9718 available by request