V027-3938 Screening compound: 2-{[(ethylcarbamoyl)(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V027-3938 Screening compound: 2-{[(ethylcarbamoyl)(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V027-3938 Screening compound: 2-{[(ethylcarbamoyl)(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-3938
2-{[(ethylcarbamoyl)(2-methylpropyl)amino]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

V027-3938

Molecular Formula

C21H25F3N2O4S (C21 H25 F3 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H25F3N2O4S/c1-4-25-20(27)26(13-15(2)3)14-16-8-5-6-11-19(16)30-31(28,29)18-10-7-9-17(12-18)21(22,23)24/h5-12,15H,4,13-14H2,1-3H3,(H,25,27)

InChI Key

VYYVKPADRVMXSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.804

Distribution Coefficient, logD

4.804

Water Solubility, LogSw

-4.52

Polar Surface Area

62.338

Acid Dissociation Constant (pKa)

16.86

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with V027-3938 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-3938?
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What is the minimum amount of V027-3938 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-3938
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-3938
  • 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 V027-3938 available by request