V008-4651 Screening compound: 5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-1-(2,3-dimethylphenyl)-N-[(furan-2-yl)methyl]-4-methyl-1H-pyrazole-3-carboxamide

V008-4651 Screening compound: 5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-1-(2,3-dimethylphenyl)-N-[(furan-2-yl)methyl]-4-methyl-1H-pyrazole-3-carboxamide
V008-4651 Screening compound: 5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-1-(2,3-dimethylphenyl)-N-[(furan-2-yl)methyl]-4-methyl-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4651
5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-1-(2,3-dimethylphenyl)-N-[(furan-2-yl)methyl]-4-methyl-1H-pyrazole-3-carboxamide

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

V008-4651

Molecular Formula

C28H31N5O7S (C28 H31 N5 O7 S)

Compound Name

5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-1-(2,3-dimethylphenyl)-N-[(furan-2-yl)methyl]-4-methyl-1H-pyrazole-3-carboxamide

IUPAC name

5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-1-(23-dimethylphenyl)-N-[(furan-2-yl)methyl]-4-methyl-1H-pyrazole-3-carboxamide

SMILES

CCC(C)NS(c(cc(cc1)[N+]([O-])=O)c1Oc1c(C)c(C(NCc2ccco2)=O)nn1-c1c(C)c(C)ccc1)(=O)=O

InChI

InChI=1S/C28H31N5O7S/c1-6-18(3)31-41(37,38)25-15-21(33(35)36)12-13-24(25)40-28-20(5)26(27(34)29-16-22-10-8-14-39-22)30-32(28)23-11-7-9-17(2)19(23)4/h7-15,18,31H,6,16H2,1-5H3,(H,29,34)/t18-/m0/s1

InChI Key

JFPDAKDUSFUMMR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19800964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

581.65

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.788

Distribution Coefficient, logD

5.788

Water Solubility, LogSw

-5.50

Polar Surface Area

128.128

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with V008-4651 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4651?
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What is the minimum amount of V008-4651 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4651
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4651
  • 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 V008-4651 available by request