V011-9149 Screening compound: 4-{[(butan-2-yl)(phenylcarbamoyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V011-9149 Screening compound: 4-{[(butan-2-yl)(phenylcarbamoyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V011-9149 Screening compound: 4-{[(butan-2-yl)(phenylcarbamoyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-9149
4-{[(butan-2-yl)(phenylcarbamoyl)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

V011-9149

Molecular Formula

C25H25F3N2O4S (C25 H25 F3 N2 O4 S)

Compound Name

4-{[(butan-2-yl)(phenylcarbamoyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

4-{[(butan-2-yl)(phenylcarbamoyl)amino]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

CCC(C)N(Cc(cc1)ccc1OS(c1cc(C(F)(F)F)ccc1)(=O)=O)C(Nc1ccccc1)=O

InChI

InChI=1S/C25H25F3N2O4S/c1-3-18(2)30(24(31)29-21-9-5-4-6-10-21)17-19-12-14-22(15-13-19)34-35(32,33)23-11-7-8-20(16-23)25(26,27)28/h4-16,18H,3,17H2,1-2H3,(H,29,31)/t18-/m0/s1

InChI Key

PYMULPMHCGNGTM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19993250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.55

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

5.725

Distribution Coefficient, logD

5.725

Water Solubility, LogSw

-5.44

Polar Surface Area

60.360

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

V011-9149 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V011-9149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-9149?
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What is the minimum amount of V011-9149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-9149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-9149
  • 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 V011-9149 available by request