C050-0353 Screening compound: 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate

C050-0353 Screening compound: 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate
C050-0353 Screening compound: 5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 4-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C050-0353
5-amino-1-(4-methoxybenzenesulfonyl)-1H-pyrazol-3-yl 4-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

C050-0353

Molecular Formula

C17H14FN3O5S (C17 H14 FN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1S(n(c(N)c1)nc1OC(c(cc1)ccc1F)=O)(=O)=O

InChI

InChI=1S/C17H14FN3O5S/c1-25-13-6-8-14(9-7-13)27(23,24)21-15(19)10-16(20-21)26-17(22)11-2-4-12(18)5-3-11/h2-10H,19H2,1H3

InChI Key

PVKWUHWFXPDAAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.357

Distribution Coefficient, logD

2.357

Water Solubility, LogSw

-2.95

Polar Surface Area

88.289

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

C050-0353 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C050-0353 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C050-0353?
Check Price and Availability of C050-0353, 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 C050-0353 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C050-0353
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C050-0353
  • 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 C050-0353 available by request