V002-1342 Screening compound: 5-({N-[(furan-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]formamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate

V002-1342 Screening compound: 5-({N-[(furan-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]formamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
V002-1342 Screening compound: 5-({N-[(furan-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]formamido}methyl)-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1342
5-({N-[(furan-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]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

V002-1342

Molecular Formula

C28H21F6NO6S (C28 H21 F6 NO6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(CN(Cc1ccco1)C(c1cc(C(F)(F)F)ccc1)=O)c1)c1OS(c1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C28H21F6NO6S/c1-39-24-11-10-18(13-25(24)41-42(37,38)23-9-3-7-21(15-23)28(32,33)34)16-35(17-22-8-4-12-40-22)26(36)19-5-2-6-20(14-19)27(29,30)31/h2-15H,16-17H2,1H3

InChI Key

DUVMBZVLWVGEGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19742420

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

613.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.667

Distribution Coefficient, logD

5.667

Water Solubility, LogSw

-5.69

Polar Surface Area

67.405

Acid Dissociation Constant (pKa)

27.20

Base Dissociation Constant (pKb)

-6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with V002-1342 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1342?
Check Price and Availability of V002-1342, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V002-1342 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1342
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1342
  • 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 V002-1342 available by request