V004-9831 Screening compound: 5-{2-[(butan-2-yl)sulfamoyl]-4-(2-methylpropanamido)phenoxy}-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid

V004-9831 Screening compound: 5-{2-[(butan-2-yl)sulfamoyl]-4-(2-methylpropanamido)phenoxy}-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid
V004-9831 Screening compound: 5-{2-[(butan-2-yl)sulfamoyl]-4-(2-methylpropanamido)phenoxy}-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9831
5-{2-[(butan-2-yl)sulfamoyl]-4-(2-methylpropanamido)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

V004-9831

Molecular Formula

C21H30N4O6S (C21 H30 N4 O6 S)

Compound Name

5-{2-[(butan-2-yl)sulfamoyl]-4-(2-methylpropanamido)phenoxy}-1-ethyl-4-methyl-1H-pyrazole-3-carboxylic acid

IUPAC name

n/a

SMILES

CCC(C)NS(c(cc(cc1)NC(C(C)C)=O)c1Oc1c(C)c(C(O)=O)nn1CC)(=O)=O

InChI

InChI=1S/C21H30N4O6S/c1-7-13(5)24-32(29,30)17-11-15(22-19(26)12(3)4)9-10-16(17)31-20-14(6)18(21(27)28)23-25(20)8-2/h9-13,24H,7-8H2,1-6H3,(H,22,26)(H,27,28)/t13-/m0/s1

InChI Key

GIWNWZBYYAJPGR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD19793735

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.580

Distribution Coefficient, logD

-0.133

Water Solubility, LogSw

-3.11

Polar Surface Area

114.516

Acid Dissociation Constant (pKa)

4.69

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

V004-9831 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V004-9831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9831?
Check Price and Availability of V004-9831, 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 V004-9831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9831
  • 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 V004-9831 available by request