V012-1011 Screening compound: 5-({N-[(furan-2-yl)methyl]-1-(2-methylphenyl)formamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate

V012-1011 Screening compound: 5-({N-[(furan-2-yl)methyl]-1-(2-methylphenyl)formamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
V012-1011 Screening compound: 5-({N-[(furan-2-yl)methyl]-1-(2-methylphenyl)formamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-1011
5-({N-[(furan-2-yl)methyl]-1-(2-methylphenyl)formamido}methyl)-2-methoxyphenyl 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

V012-1011

Molecular Formula

C28H24F3NO6S (C28 H24 F3 NO6 S)

Compound Name

5-({N-[(furan-2-yl)methyl]-1-(2-methylphenyl)formamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

5-({N-[(furan-2-yl)methyl]-1-(2-methylphenyl)formamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

Cc(cccc1)c1C(N(Cc1ccco1)Cc(cc1)cc(OS(c2cc(C(F)(F)F)ccc2)(=O)=O)c1OC)=O

InChI

InChI=1S/C28H24F3NO6S/c1-19-7-3-4-11-24(19)27(33)32(18-22-9-6-14-37-22)17-20-12-13-25(36-2)26(15-20)38-39(34,35)23-10-5-8-21(16-23)28(29,30)31/h3-16H,17-18H2,1-2H3

InChI Key

RIVZNGQXPPJYIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19747290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.338

Distribution Coefficient, logD

5.338

Water Solubility, LogSw

-5.52

Polar Surface Area

67.405

Acid Dissociation Constant (pKa)

27.20

Base Dissociation Constant (pKb)

-4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with V012-1011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-1011?
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What is the minimum amount of V012-1011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-1011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-1011
  • 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 V012-1011 available by request