V027-3583 Screening compound: 5-[2-(tert-butylsulfamoyl)-4-(2-chlorobenzamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid

V027-3583 Screening compound: 5-[2-(tert-butylsulfamoyl)-4-(2-chlorobenzamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid
V027-3583 Screening compound: 5-[2-(tert-butylsulfamoyl)-4-(2-chlorobenzamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-3583
5-[2-(tert-butylsulfamoyl)-4-(2-chlorobenzamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid

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

V027-3583

Molecular Formula

C22H23ClN4O6S (C22 H23 ClN4 O6 S)

Compound Name

5-[2-(tert-butylsulfamoyl)-4-(2-chlorobenzamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid

IUPAC name

5-[2-(tert-butylsulfamoyl)-4-(2-chlorobenzamido)phenoxy]-1-methyl-1H-pyrazole-3-carboxylic acid

SMILES

CC(C)(C)NS(c(cc(cc1)NC(c(cccc2)c2Cl)=O)c1Oc1cc(C(O)=O)nn1C)(=O)=O

InChI

InChI=1S/C22H23ClN4O6S/c1-22(2,3)26-34(31,32)18-11-13(24-20(28)14-7-5-6-8-15(14)23)9-10-17(18)33-19-12-16(21(29)30)25-27(19)4/h5-12,26H,1-4H3,(H,24,28)(H,29,30)

InChI Key

CIGQXDLAHGSWFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19786668

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

506.97

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.884

Distribution Coefficient, logD

0.149

Water Solubility, LogSw

-3.71

Polar Surface Area

113.555

Acid Dissociation Constant (pKa)

4.66

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

V027-3583 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V027-3583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-3583?
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What is the minimum amount of V027-3583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-3583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-3583
  • 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 V027-3583 available by request