C301-9805 Screening compound: N-[1-ethyl-5-methyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

C301-9805 Screening compound: N-[1-ethyl-5-methyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
C301-9805 Screening compound: N-[1-ethyl-5-methyl-3-(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 C301-9805
N-[1-ethyl-5-methyl-3-(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

C301-9805

Molecular Formula

C15H16N8O3S (C15 H16 N8 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCn(c(C)c1NS(c(cc2)cc(N3)c2NC3=O)(=O)=O)nc1-n1cnnc1

InChI

InChI=1S/C15H16N8O3S/c1-3-23-9(2)13(14(20-23)22-7-16-17-8-22)21-27(25,26)10-4-5-11-12(6-10)19-15(24)18-11/h4-8,21H,3H2,1-2H3,(H2,18,19,24)

InChI Key

DZACIFMQUNOFSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.278

Distribution Coefficient, logD

-3.480

Water Solubility, LogSw

-2.36

Polar Surface Area

114.885

Acid Dissociation Constant (pKa)

4.90

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C301-9805 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9805
  • 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 C301-9805 available by request