C263-0426 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate

C263-0426 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate
C263-0426 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C263-0426
3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2-methyl-3-nitrobenzoate

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

C263-0426

Molecular Formula

C24H18N4O8S (C24 H18 N4 O8 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)c1OC(c2c(C)c([N+]([O-])=O)ccc2)=O)nn1-c1ccccc1

InChI

InChI=1S/C24H18N4O8S/c1-15-20(9-6-10-21(15)28(32)33)24(29)36-23-22(16(2)25-26(23)17-7-4-3-5-8-17)37(34,35)19-13-11-18(12-14-19)27(30)31/h3-14H,1-2H3

InChI Key

OUAIYPAELXFULH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04462211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.5

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.431

Distribution Coefficient, logD

4.431

Water Solubility, LogSw

-4.59

Polar Surface Area

130.513

Acid Dissociation Constant (pKa)

26.53

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

C263-0426 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 C263-0426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C263-0426?
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What is the minimum amount of C263-0426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C263-0426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C263-0426
  • 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 C263-0426 available by request