V030-1762 Screening compound: 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(3-chlorobenzamido)phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid

V030-1762 Screening compound: 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(3-chlorobenzamido)phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid
V030-1762 Screening compound: 5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(3-chlorobenzamido)phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-1762
5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(3-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

V030-1762

Molecular Formula

C26H21ClN4O8S (C26 H21 ClN4 O8 S)

Compound Name

5-(2-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-(3-chlorobenzamido)phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid

IUPAC name

5-(2-{[(2H-13-benzodioxol-5-yl)methyl]sulfamoyl}-4-(3-chlorobenzamido)phenoxy)-1-methyl-1H-pyrazole-3-carboxylic acid

SMILES

Cn(c(Oc(ccc(NC(c1cccc(Cl)c1)=O)c1)c1S(NCc(cc1)cc2c1OCO2)(=O)=O)c1)nc1C(O)=O

InChI

InChI=1S/C26H21ClN4O8S/c1-31-24(12-19(30-31)26(33)34)39-21-8-6-18(29-25(32)16-3-2-4-17(27)10-16)11-23(21)40(35,36)28-13-15-5-7-20-22(9-15)38-14-37-20/h2-12,28H,13-14H2,1H3,(H,29,32)(H,33,34)

InChI Key

PUKXUGJQOHPHIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498023

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

584.99

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

3.686

Distribution Coefficient, logD

0.950

Water Solubility, LogSw

-4.17

Polar Surface Area

131.362

Acid Dissociation Constant (pKa)

4.66

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with V030-1762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-1762?
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What is the minimum amount of V030-1762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-1762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-1762
  • 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 V030-1762 available by request