C050-0247 Screening compound: 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 2-fluorobenzoate

C050-0247 Screening compound: 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 2-fluorobenzoate
C050-0247 Screening compound: 5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 2-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C050-0247
5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 2-fluorobenzoate

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

C050-0247

Molecular Formula

C17H14FN3O4S (C17 H14 FN3 O4 S)

Compound Name

5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 2-fluorobenzoate

IUPAC name

5-amino-1-(4-methylbenzenesulfonyl)-1H-pyrazol-3-yl 2-fluorobenzoate

SMILES

Cc(cc1)ccc1S(n(c(N)c1)nc1OC(c(cccc1)c1F)=O)(=O)=O

InChI

InChI=1S/C17H14FN3O4S/c1-11-6-8-12(9-7-11)26(23,24)21-15(19)10-16(20-21)25-17(22)13-4-2-3-5-14(13)18/h2-10H,19H2,1H3

InChI Key

SLPZCZZBLSYHNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453773

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.38

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

2.922

Distribution Coefficient, logD

2.922

Water Solubility, LogSw

-3.55

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

5.90

C050-0247 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C050-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C050-0247?
Check Price and Availability of C050-0247, 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 C050-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C050-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C050-0247
  • 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 C050-0247 available by request