V012-1010 Screening compound: 4-{[1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V012-1010 Screening compound: 4-{[1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V012-1010 Screening compound: 4-{[1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-1010
4-{[1-(3-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

V012-1010

Molecular Formula

C26H19F4NO5S (C26 H19 F4 NO5 S)

Compound Name

4-{[1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

4-{[1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

O=C(c1cc(F)ccc1)N(Cc1ccco1)Cc(cc1)ccc1OS(c1cc(C(F)(F)F)ccc1)(=O)=O

InChI

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

InChI Key

HDIZOYBDGHGGLG-UHFFFAOYSA-N

MDL Number (MFCD)

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

5.249

Distribution Coefficient, logD

5.249

Water Solubility, LogSw

-5.53

Polar Surface Area

59.688

Acid Dissociation Constant (pKa)

26.81

Base Dissociation Constant (pKb)

-6.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with V012-1010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-1010?
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What is the minimum amount of V012-1010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-1010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-1010
  • 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 V012-1010 available by request