C263-0270 Screening compound: 4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl (2E)-3-phenylprop-2-enoate

C263-0270 Screening compound: 4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl (2E)-3-phenylprop-2-enoate
C263-0270 Screening compound: 4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl (2E)-3-phenylprop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C263-0270
4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl (2E)-3-phenylprop-2-enoate

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

C263-0270

Molecular Formula

C25H20N2O4S (C25 H20 N2 O4 S)

Compound Name

4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl (2E)-3-phenylprop-2-enoate

IUPAC name

4-(benzenesulfonyl)-3-methyl-1-phenyl-1H-pyrazol-5-yl (2E)-3-phenylprop-2-enoate

SMILES

Cc(c(S(c1ccccc1)(=O)=O)c1OC(/C=C/c2ccccc2)=O)nn1-c1ccccc1

InChI

InChI=1S/C25H20N2O4S/c1-19-24(32(29,30)22-15-9-4-10-16-22)25(27(26-19)21-13-7-3-8-14-21)31-23(28)18-17-20-11-5-2-6-12-20/h2-18H,1H3

InChI Key

PFKZFPIDTYUPMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04462067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.470

Distribution Coefficient, logD

4.470

Water Solubility, LogSw

-4.41

Polar Surface Area

63.456

Acid Dissociation Constant (pKa)

30.30

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.00

C263-0270 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C263-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C263-0270?
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What is the minimum amount of C263-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C263-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C263-0270
  • 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 C263-0270 available by request