V003-9852 Screening compound: 2-{[1-(2-fluorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V003-9852 Screening compound: 2-{[1-(2-fluorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V003-9852 Screening compound: 2-{[1-(2-fluorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9852
2-{[1-(2-fluorophenyl)-N-[(furan-2-yl)methyl]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

V003-9852

Molecular Formula

C26H19F4NO5S (C26 H19 F4 NO5 S)

Compound Name

2-{[1-(2-fluorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

2-{[1-(2-fluorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

O=C(c(cccc1)c1F)N(Cc1ccco1)Cc(cccc1)c1OS(c1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C26H19F4NO5S/c27-23-12-3-2-11-22(23)25(32)31(17-20-9-6-14-35-20)16-18-7-1-4-13-24(18)36-37(33,34)21-10-5-8-19(15-21)26(28,29)30/h1-15H,16-17H2

InChI Key

BXZSICMYGVQXNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498588

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.584

Distribution Coefficient, logD

5.584

Water Solubility, LogSw

-6.05

Polar Surface Area

59.775

Acid Dissociation Constant (pKa)

26.97

Base Dissociation Constant (pKb)

-7.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with V003-9852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9852?
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What is the minimum amount of V003-9852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9852
  • 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 V003-9852 available by request