V025-5592 Screening compound: 3-{[(tert-butylcarbamoyl)(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V025-5592 Screening compound: 3-{[(tert-butylcarbamoyl)(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V025-5592 Screening compound: 3-{[(tert-butylcarbamoyl)(2-methylpropyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5592
3-{[(tert-butylcarbamoyl)(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

V025-5592

Molecular Formula

C23H29F3N2O4S (C23 H29 F3 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(Cc1cccc(OS(c2cc(C(F)(F)F)ccc2)(=O)=O)c1)C(NC(C)(C)C)=O

InChI

InChI=1S/C23H29F3N2O4S/c1-16(2)14-28(21(29)27-22(3,4)5)15-17-8-6-10-19(12-17)32-33(30,31)20-11-7-9-18(13-20)23(24,25)26/h6-13,16H,14-15H2,1-5H3,(H,27,29)

InChI Key

NINSGBIKZKDZFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20492782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.56

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

5.648

Distribution Coefficient, logD

5.648

Water Solubility, LogSw

-5.56

Polar Surface Area

61.449

Acid Dissociation Constant (pKa)

16.81

Base Dissociation Constant (pKb)

3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with V025-5592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5592?
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What is the minimum amount of V025-5592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5592
  • 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 V025-5592 available by request