C263-0365 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl cyclopentanecarboxylate

C263-0365 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl cyclopentanecarboxylate
C263-0365 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl cyclopentanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C263-0365
3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl cyclopentanecarboxylate

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

C263-0365

Molecular Formula

C22H21N3O6S (C22 H21 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)c1OC(C2CCCC2)=O)nn1-c1ccccc1

InChI

InChI=1S/C22H21N3O6S/c1-15-20(32(29,30)19-13-11-18(12-14-19)25(27)28)21(31-22(26)16-7-5-6-8-16)24(23-15)17-9-3-2-4-10-17/h2-4,9-14,16H,5-8H2,1H3

InChI Key

IPTVKKRNLQTLAF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04462156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.49

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

4.061

Distribution Coefficient, logD

4.061

Water Solubility, LogSw

-4.13

Polar Surface Area

97.991

Acid Dissociation Constant (pKa)

20.81

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C263-0365 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 C263-0365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C263-0365?
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What is the minimum amount of C263-0365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C263-0365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C263-0365
  • 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 C263-0365 available by request