C263-0391 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl cyclopropanecarboxylate

C263-0391 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl cyclopropanecarboxylate
C263-0391 Screening compound: 3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl cyclopropanecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C263-0391
3-methyl-4-(4-nitrobenzenesulfonyl)-1-phenyl-1H-pyrazol-5-yl cyclopropanecarboxylate

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

C263-0391

Molecular Formula

C20H17N3O6S (C20 H17 N3 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(S(c(cc1)ccc1[N+]([O-])=O)(=O)=O)c1OC(C2CC2)=O)nn1-c1ccccc1

InChI

InChI=1S/C20H17N3O6S/c1-13-18(30(27,28)17-11-9-16(10-12-17)23(25)26)19(29-20(24)14-7-8-14)22(21-13)15-5-3-2-4-6-15/h2-6,9-12,14H,7-8H2,1H3

InChI Key

LBEZYVIBZYTEFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04462180

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.44

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

3.245

Distribution Coefficient, logD

3.245

Water Solubility, LogSw

-3.79

Polar Surface Area

97.956

Acid Dissociation Constant (pKa)

20.84

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C263-0391 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 C263-0391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C263-0391?
Check Price and Availability of C263-0391, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C263-0391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C263-0391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C263-0391
  • 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 C263-0391 available by request