C050-0453 Screening compound: 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 4-chlorobenzoate

C050-0453 Screening compound: 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 4-chlorobenzoate
C050-0453 Screening compound: 5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C050-0453
5-amino-1-(methylsulfonyl)-1H-pyrazol-3-yl 4-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

C050-0453

Molecular Formula

C11H10ClN3O4S (C11 H10 ClN3 O4 S)

Compound Name

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

IUPAC name

5-amino-1-methanesulfonyl-1H-pyrazol-3-yl 4-chlorobenzoate

SMILES

CS(n(c(N)c1)nc1OC(c(cc1)ccc1Cl)=O)(=O)=O

InChI

InChI=1S/C11H10ClN3O4S/c1-20(17,18)15-9(13)6-10(14-15)19-11(16)7-2-4-8(12)5-3-7/h2-6H,13H2,1H3

InChI Key

NSBSRDVBRXKWQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.303

Distribution Coefficient, logD

1.303

Water Solubility, LogSw

-2.75

Polar Surface Area

80.509

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

C050-0453 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C050-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C050-0453?
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What is the minimum amount of C050-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C050-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C050-0453
  • 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 C050-0453 available by request