V028-0174 Screening compound: 3-{[1-(4-methylphenyl)-N-(propan-2-yl)formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V028-0174 Screening compound: 3-{[1-(4-methylphenyl)-N-(propan-2-yl)formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V028-0174 Screening compound: 3-{[1-(4-methylphenyl)-N-(propan-2-yl)formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0174
3-{[1-(4-methylphenyl)-N-(propan-2-yl)formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

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

V028-0174

Molecular Formula

C25H24F3NO4S (C25 H24 F3 NO4 S)

Compound Name

3-{[1-(4-methylphenyl)-N-(propan-2-yl)formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

3-{[1-(4-methylphenyl)-N-(propan-2-yl)formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

CC(C)N(Cc1cccc(OS(c2cc(C(F)(F)F)ccc2)(=O)=O)c1)C(c1ccc(C)cc1)=O

InChI

InChI=1S/C25H24F3NO4S/c1-17(2)29(24(30)20-12-10-18(3)11-13-20)16-19-6-4-8-22(14-19)33-34(31,32)23-9-5-7-21(15-23)25(26,27)28/h4-15,17H,16H2,1-3H3

InChI Key

BIFAJSIKQRVCGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19745526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.715

Distribution Coefficient, logD

5.715

Water Solubility, LogSw

-5.58

Polar Surface Area

51.955

Acid Dissociation Constant (pKa)

26.36

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with V028-0174 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0174?
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What is the minimum amount of V028-0174 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0174
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0174
  • 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 V028-0174 available by request