V030-5584 Screening compound: 2-{[N-(2-methylpropyl)acetamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V030-5584 Screening compound: 2-{[N-(2-methylpropyl)acetamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V030-5584 Screening compound: 2-{[N-(2-methylpropyl)acetamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5584
2-{[N-(2-methylpropyl)acetamido]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

V030-5584

Molecular Formula

C20H22F3NO4S (C20 H22 F3 NO4 S)

Compound Name

2-{[N-(2-methylpropyl)acetamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

2-{[N-(2-methylpropyl)acetamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

CC(C)CN(Cc(cccc1)c1OS(c1cc(C(F)(F)F)ccc1)(=O)=O)C(C)=O

InChI

InChI=1S/C20H22F3NO4S/c1-14(2)12-24(15(3)25)13-16-7-4-5-10-19(16)28-29(26,27)18-9-6-8-17(11-18)20(21,22)23/h4-11,14H,12-13H2,1-3H3

InChI Key

CVOSSOOUZMOTMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.46

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

4.492

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-4.39

Polar Surface Area

53.037

Acid Dissociation Constant (pKa)

24.05

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with V030-5584 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5584?
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What is the minimum amount of V030-5584 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5584
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5584
  • 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 V030-5584 available by request