V027-8693 Screening compound: 5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-1-(2,5-dimethylphenyl)-4-methyl-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide

V027-8693 Screening compound: 5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-1-(2,5-dimethylphenyl)-4-methyl-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
V027-8693 Screening compound: 5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-1-(2,5-dimethylphenyl)-4-methyl-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8693
5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-1-(2,5-dimethylphenyl)-4-methyl-N-{[3-(trifluoromethyl)phenyl]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

V027-8693

Molecular Formula

C31H32F3N5O6S (C31 H32 F3 N5 O6 S)

Compound Name

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

IUPAC name

5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-1-(25-dimethylphenyl)-4-methyl-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide

SMILES

CCC(C)NS(c(cc(cc1)[N+]([O-])=O)c1Oc1c(C)c(C(NCc2cc(C(F)(F)F)ccc2)=O)nn1-c1c(C)ccc(C)c1)(=O)=O

InChI

InChI=1S/C31H32F3N5O6S/c1-6-20(4)37-46(43,44)27-16-24(39(41)42)12-13-26(27)45-30-21(5)28(36-38(30)25-14-18(2)10-11-19(25)3)29(40)35-17-22-8-7-9-23(15-22)31(32,33)34/h7-16,20,37H,6,17H2,1-5H3,(H,35,40)/t20-/m0/s1

InChI Key

LSXAXJCOUMVJLG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19791052

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

659.69

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.900

Distribution Coefficient, logD

6.900

Water Solubility, LogSw

-5.72

Polar Surface Area

120.379

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.00

V027-8693 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V027-8693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8693?
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What is the minimum amount of V027-8693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8693
  • 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 V027-8693 available by request