C263-0431 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate

C263-0431 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate
C263-0431 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C263-0431
3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-trimethoxybenzoate

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

C263-0431

Molecular Formula

C26H23N3O9S (C26 H23 N3 O9 S)

Compound Name

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

IUPAC name

3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 345-trimethoxybenzoate

SMILES

Cc(c(S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)c1OC(c(cc2OC)cc(OC)c2OC)=O)nn1-c1ccccc1

InChI

InChI=1S/C26H23N3O9S/c1-16-24(39(33,34)20-12-10-19(11-13-20)29(31)32)25(28(27-16)18-8-6-5-7-9-18)38-26(30)17-14-21(35-2)23(37-4)22(15-17)36-3/h5-15H,1-4H3

InChI Key

UGUVYEGFGCMWEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04462216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.55

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.442

Distribution Coefficient, logD

3.442

Water Solubility, LogSw

-4.05

Polar Surface Area

120.410

Acid Dissociation Constant (pKa)

30.30

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C263-0431 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 C263-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C263-0431?
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What is the minimum amount of C263-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C263-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C263-0431
  • 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 C263-0431 available by request