C263-0373 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate

C263-0373 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate
C263-0373 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C263-0373
3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate

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

C263-0373

Molecular Formula

C24H17N3O8S (C24 H17 N3 O8 S)

Compound Name

3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2H-1,3-benzodioxole-5-carboxylate

IUPAC name

3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2H-13-benzodioxole-5-carboxylate

SMILES

Cc(c(S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)c1OC(c(cc2)cc3c2OCO3)=O)nn1-c1ccccc1

InChI

InChI=1S/C24H17N3O8S/c1-15-22(36(31,32)19-10-8-18(9-11-19)27(29)30)23(26(25-15)17-5-3-2-4-6-17)35-24(28)16-7-12-20-21(13-16)34-14-33-20/h2-13H,14H2,1H3

InChI Key

OXCBVAKQTOYXQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04462163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.48

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.813

Distribution Coefficient, logD

3.813

Water Solubility, LogSw

-4.11

Polar Surface Area

114.548

Acid Dissociation Constant (pKa)

30.30

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C263-0373 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C263-0373 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C263-0373?
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What is the minimum amount of C263-0373 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C263-0373
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C263-0373
  • 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 C263-0373 available by request