C301-9841 Screening compound: N-[1-ethyl-5-methyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide

C301-9841 Screening compound: N-[1-ethyl-5-methyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide
C301-9841 Screening compound: N-[1-ethyl-5-methyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9841
N-[1-ethyl-5-methyl-3-(4H-1,2,4-triazol-4-yl)-1H-pyrazol-4-yl]-1,3-dimethyl-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

C301-9841

Molecular Formula

C17H20N8O3S (C17 H20 N8 O3 S)

Compound Name

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

SMILES

CCn(c(C)c1NS(c(cc2)cc(N3C)c2N(C)C3=O)(=O)=O)nc1-n1cnnc1

InChI

InChI=1S/C17H20N8O3S/c1-5-25-11(2)15(16(20-25)24-9-18-19-10-24)21-29(27,28)12-6-7-13-14(8-12)23(4)17(26)22(13)3/h6-10,21H,5H2,1-4H3

InChI Key

COHSWVMWRDENOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28119243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.200

Distribution Coefficient, logD

-3.002

Water Solubility, LogSw

-2.53

Polar Surface Area

96.843

Acid Dissociation Constant (pKa)

4.90

Base Dissociation Constant (pKb)

5.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with C301-9841 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 C301-9841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9841
  • 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 C301-9841 available by request