C263-0368 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,5-dimethylbenzoate

C263-0368 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,5-dimethylbenzoate
C263-0368 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,5-dimethylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C263-0368
3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,5-dimethylbenzoate

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

C263-0368

Molecular Formula

C25H21N3O6S (C25 H21 N3 O6 S)

Compound Name

3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,5-dimethylbenzoate

IUPAC name

3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 35-dimethylbenzoate

SMILES

Cc(c(S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)c1OC(c2cc(C)cc(C)c2)=O)nn1-c1ccccc1

InChI

InChI=1S/C25H21N3O6S/c1-16-13-17(2)15-19(14-16)25(29)34-24-23(18(3)26-27(24)20-7-5-4-6-8-20)35(32,33)22-11-9-21(10-12-22)28(30)31/h4-15H,1-3H3

InChI Key

LJDUIFAKSBBDIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04462159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.52

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.511

Distribution Coefficient, logD

4.511

Water Solubility, LogSw

-4.45

Polar Surface Area

97.433

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

C263-0368 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C263-0368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C263-0368?
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What is the minimum amount of C263-0368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C263-0368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C263-0368
  • 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 C263-0368 available by request