V004-9842 Screening compound: 5-[4-(2-chlorobenzamido)-2-[(propan-2-yl)sulfamoyl]phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid

V004-9842 Screening compound: 5-[4-(2-chlorobenzamido)-2-[(propan-2-yl)sulfamoyl]phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
V004-9842 Screening compound: 5-[4-(2-chlorobenzamido)-2-[(propan-2-yl)sulfamoyl]phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9842
5-[4-(2-chlorobenzamido)-2-[(propan-2-yl)sulfamoyl]phenoxy]-1-ethyl-4-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

V004-9842

Molecular Formula

C23H25ClN4O6S (C23 H25 ClN4 O6 S)

Compound Name

5-[4-(2-chlorobenzamido)-2-[(propan-2-yl)sulfamoyl]phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid

IUPAC name

5-[4-(2-chlorobenzamido)-2-[(propan-2-yl)sulfamoyl]phenoxy]-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid

SMILES

CCn1nc(C(O)=O)c(C)c1Oc(ccc(NC(c(cccc1)c1Cl)=O)c1)c1S(NC(C)C)(=O)=O

InChI

InChI=1S/C23H25ClN4O6S/c1-5-28-22(14(4)20(26-28)23(30)31)34-18-11-10-15(12-19(18)35(32,33)27-13(2)3)25-21(29)16-8-6-7-9-17(16)24/h6-13,27H,5H2,1-4H3,(H,25,29)(H,30,31)

InChI Key

MKCNERXFAIXLKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19793734

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

520.99

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.242

Distribution Coefficient, logD

0.529

Water Solubility, LogSw

-3.73

Polar Surface Area

113.777

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with V004-9842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9842?
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What is the minimum amount of V004-9842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9842
  • 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 V004-9842 available by request