C263-0432 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate

C263-0432 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate
C263-0432 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C263-0432
3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl 3,4,5-triethoxybenzoate

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

C263-0432

Molecular Formula

C29H29N3O9S (C29 H29 N3 O9 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc(C(Oc(n(-c2ccccc2)nc2C)c2S(c(cc2)ccc2[N+]([O-])=O)(=O)=O)=O)cc(OCC)c1OCC

InChI

InChI=1S/C29H29N3O9S/c1-5-38-24-17-20(18-25(39-6-2)26(24)40-7-3)29(33)41-28-27(19(4)30-31(28)21-11-9-8-10-12-21)42(36,37)23-15-13-22(14-16-23)32(34)35/h8-18H,5-7H2,1-4H3

InChI Key

BCKRTQMWCHDETR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04462217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.63

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.401

Distribution Coefficient, logD

4.401

Water Solubility, LogSw

-4.39

Polar Surface Area

119.150

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

C263-0432 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 C263-0432 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C263-0432?
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What is the minimum amount of C263-0432 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C263-0432
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C263-0432
  • 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 C263-0432 available by request