V002-1341 Screening compound: 2-methoxy-5-{[1-(3-methoxyphenyl)-N-(2-methylpropyl)formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V002-1341 Screening compound: 2-methoxy-5-{[1-(3-methoxyphenyl)-N-(2-methylpropyl)formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V002-1341 Screening compound: 2-methoxy-5-{[1-(3-methoxyphenyl)-N-(2-methylpropyl)formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1341
2-methoxy-5-{[1-(3-methoxyphenyl)-N-(2-methylpropyl)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

V002-1341

Molecular Formula

C27H28F3NO6S (C27 H28 F3 NO6 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(Cc(cc1)cc(OS(c2cc(C(F)(F)F)ccc2)(=O)=O)c1OC)C(c1cc(OC)ccc1)=O

InChI

InChI=1S/C27H28F3NO6S/c1-18(2)16-31(26(32)20-7-5-9-22(14-20)35-3)17-19-11-12-24(36-4)25(13-19)37-38(33,34)23-10-6-8-21(15-23)27(28,29)30/h5-15,18H,16-17H2,1-4H3

InChI Key

GNRGHDZOAHUZJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19747367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.58

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

5.257

Distribution Coefficient, logD

5.257

Water Solubility, LogSw

-5.28

Polar Surface Area

67.472

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with V002-1341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1341?
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What is the minimum amount of V002-1341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1341
  • 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 V002-1341 available by request