V005-4083 Screening compound: 4-{[1-(4-hexylphenyl)-N-(2-methoxyethyl)formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V005-4083 Screening compound: 4-{[1-(4-hexylphenyl)-N-(2-methoxyethyl)formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V005-4083 Screening compound: 4-{[1-(4-hexylphenyl)-N-(2-methoxyethyl)formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-4083
4-{[1-(4-hexylphenyl)-N-(2-methoxyethyl)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

V005-4083

Molecular Formula

C30H34F3NO5S (C30 H34 F3 NO5 S)

Compound Name

4-{[1-(4-hexylphenyl)-N-(2-methoxyethyl)formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

4-{[1-(4-hexylphenyl)-N-(2-methoxyethyl)formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

CCCCCCc(cc1)ccc1C(N(CCOC)Cc(cc1)ccc1OS(c1cc(C(F)(F)F)ccc1)(=O)=O)=O

InChI

InChI=1S/C30H34F3NO5S/c1-3-4-5-6-8-23-11-15-25(16-12-23)29(35)34(19-20-38-2)22-24-13-17-27(18-14-24)39-40(36,37)28-10-7-9-26(21-28)30(31,32)33/h7,9-18,21H,3-6,8,19-20,22H2,1-2H3

InChI Key

LWAWDZKIRSXBLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19751931

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.66

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.241

Distribution Coefficient, logD

7.241

Water Solubility, LogSw

-5.71

Polar Surface Area

60.532

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

-5.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

References: we are preparing a list of scientific research reports with V005-4083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-4083?
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What is the minimum amount of V005-4083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-4083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-4083
  • 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 V005-4083 available by request