V002-1343 Screening compound: 2-methoxy-5-{[N-(2-methoxyethyl)-3,5,5-trimethylhexanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V002-1343 Screening compound: 2-methoxy-5-{[N-(2-methoxyethyl)-3,5,5-trimethylhexanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V002-1343 Screening compound: 2-methoxy-5-{[N-(2-methoxyethyl)-3,5,5-trimethylhexanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1343
2-methoxy-5-{[N-(2-methoxyethyl)-3,5,5-trimethylhexanamido]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

V002-1343

Molecular Formula

C27H36F3NO6S (C27 H36 F3 NO6 S)

Compound Name

2-methoxy-5-{[N-(2-methoxyethyl)-3,5,5-trimethylhexanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

2-methoxy-5-{[N-(2-methoxyethyl)-355-trimethylhexanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

CC(CC(C)(C)C)CC(N(CCOC)Cc(cc1)cc(OS(c2cc(C(F)(F)F)ccc2)(=O)=O)c1OC)=O

InChI

InChI=1S/C27H36F3NO6S/c1-19(17-26(2,3)4)14-25(32)31(12-13-35-5)18-20-10-11-23(36-6)24(15-20)37-38(33,34)22-9-7-8-21(16-22)27(28,29)30/h7-11,15-16,19H,12-14,17-18H2,1-6H3/t19-/m1/s1

InChI Key

ACYKTGUGHLHIMR-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19747386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.441

Distribution Coefficient, logD

5.441

Water Solubility, LogSw

-5.57

Polar Surface Area

67.993

Acid Dissociation Constant (pKa)

24.86

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

51.90

References: we are preparing a list of scientific research reports with V002-1343 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1343?
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What is the minimum amount of V002-1343 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1343
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1343
  • 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 V002-1343 available by request