C263-0388 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate

C263-0388 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate
C263-0388 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C263-0388
3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 2,2-dimethylpropanoate

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

C263-0388

Molecular Formula

C21H21N3O6S (C21 H21 N3 O6 S)

Compound Name

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

IUPAC name

3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 22-dimethylpropanoate

SMILES

CC(C)(C)C(Oc(n(-c1ccccc1)nc1C)c1S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)=O

InChI

InChI=1S/C21H21N3O6S/c1-14-18(31(28,29)17-12-10-16(11-13-17)24(26)27)19(30-20(25)21(2,3)4)23(22-14)15-8-6-5-7-9-15/h5-13H,1-4H3

InChI Key

YSLMPXYHUSQQLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04462177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

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

4.011

Distribution Coefficient, logD

4.011

Water Solubility, LogSw

-4.16

Polar Surface Area

97.704

Acid Dissociation Constant (pKa)

30.30

Base Dissociation Constant (pKb)

-3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C263-0388 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 C263-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C263-0388?
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What is the minimum amount of C263-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C263-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C263-0388
  • 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 C263-0388 available by request