C050-0296 Screening compound: 5-amino-1-(4-fluorobenzenesulfonyl)-1H-pyrazol-3-yl 2-chlorobenzoate

C050-0296 Screening compound: 5-amino-1-(4-fluorobenzenesulfonyl)-1H-pyrazol-3-yl 2-chlorobenzoate
C050-0296 Screening compound: 5-amino-1-(4-fluorobenzenesulfonyl)-1H-pyrazol-3-yl 2-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C050-0296
5-amino-1-(4-fluorobenzenesulfonyl)-1H-pyrazol-3-yl 2-chlorobenzoate

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

C050-0296

Molecular Formula

C16H11ClFN3O4S (C16 H11 ClFN3 O4 S)

Compound Name

5-amino-1-(4-fluorobenzenesulfonyl)-1H-pyrazol-3-yl 2-chlorobenzoate

IUPAC name

5-amino-1-(4-fluorobenzenesulfonyl)-1H-pyrazol-3-yl 2-chlorobenzoate

SMILES

Nc1cc(OC(c(cccc2)c2Cl)=O)nn1S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C16H11ClFN3O4S/c17-13-4-2-1-3-12(13)16(22)25-15-9-14(19)21(20-15)26(23,24)11-7-5-10(18)6-8-11/h1-9H,19H2

InChI Key

XNDRKDNQAZIRMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453796

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.8

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.108

Distribution Coefficient, logD

3.108

Water Solubility, LogSw

-3.79

Polar Surface Area

80.745

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C050-0296 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C050-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C050-0296?
Check Price and Availability of C050-0296, 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 C050-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C050-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C050-0296
  • 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 C050-0296 available by request