V005-4072 Screening compound: 4-{[N-(2-methoxyethyl)dodecanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V005-4072 Screening compound: 4-{[N-(2-methoxyethyl)dodecanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V005-4072 Screening compound: 4-{[N-(2-methoxyethyl)dodecanamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-4072
4-{[N-(2-methoxyethyl)dodecanamido]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

V005-4072

Molecular Formula

C29H40F3NO5S (C29 H40 F3 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C29H40F3NO5S/c1-3-4-5-6-7-8-9-10-11-15-28(34)33(20-21-37-2)23-24-16-18-26(19-17-24)38-39(35,36)27-14-12-13-25(22-27)29(30,31)32/h12-14,16-19,22H,3-11,15,20-21,23H2,1-2H3

InChI Key

CCCYCXSYKVPPDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19757282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

571.7

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

20.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.853

Distribution Coefficient, logD

7.853

Water Solubility, LogSw

-5.76

Polar Surface Area

60.276

Acid Dissociation Constant (pKa)

23.89

Base Dissociation Constant (pKb)

-2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.20

References: we are preparing a list of scientific research reports with V005-4072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-4072?
Check Price and Availability of V005-4072, 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 V005-4072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-4072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-4072
  • 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 V005-4072 available by request