C263-0404 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-chlorobenzoate

C263-0404 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-chlorobenzoate
C263-0404 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C263-0404
3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-chlorobenzoate

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

C263-0404

Molecular Formula

C23H16ClN3O6S (C23 H16 ClN3 O6 S)

Compound Name

3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-chlorobenzoate

IUPAC name

3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-chlorobenzoate

SMILES

Cc(c(S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)c1OC(c(cccc2)c2Cl)=O)nn1-c1ccccc1

InChI

InChI=1S/C23H16ClN3O6S/c1-15-21(34(31,32)18-13-11-17(12-14-18)27(29)30)22(26(25-15)16-7-3-2-4-8-16)33-23(28)19-9-5-6-10-20(19)24/h2-14H,1H3

InChI Key

VGHAIKMKLKYOCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04462190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.92

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

4.745

Distribution Coefficient, logD

4.745

Water Solubility, LogSw

-4.95

Polar Surface Area

97.433

Acid Dissociation Constant (pKa)

30.30

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

C263-0404 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 C263-0404 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C263-0404?
Check Price and Availability of C263-0404, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C263-0404 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C263-0404
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C263-0404
  • 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 C263-0404 available by request