V030-8478 Screening compound: 5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-4-methyl-1-(4-methylphenyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide

V030-8478 Screening compound: 5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-4-methyl-1-(4-methylphenyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide
V030-8478 Screening compound: 5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-4-methyl-1-(4-methylphenyl)-N-{[3-(trifluoromethyl)phenyl]methyl}-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-8478
5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-4-methyl-1-(4-methylphenyl)-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

V030-8478

Molecular Formula

C30H30F3N5O6S (C30 H30 F3 N5 O6 S)

Compound Name

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

IUPAC name

5-{2-[(butan-2-yl)sulfamoyl]-4-nitrophenoxy}-4-methyl-1-(4-methylphenyl)-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-c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C30H30F3N5O6S/c1-5-19(3)36-45(42,43)26-16-24(38(40)41)13-14-25(26)44-29-20(4)27(35-37(29)23-11-9-18(2)10-12-23)28(39)34-17-21-7-6-8-22(15-21)30(31,32)33/h6-16,19,36H,5,17H2,1-4H3,(H,34,39)/t19-/m0/s1

InChI Key

VYKSHHCIHVLBMQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19786991

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

645.66

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

6.365

Distribution Coefficient, logD

6.365

Water Solubility, LogSw

-5.64

Polar Surface Area

120.680

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with V030-8478 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-8478?
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What is the minimum amount of V030-8478 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-8478
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-8478
  • 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 V030-8478 available by request