V027-4009 Screening compound: 2-{[2-methoxy-N-(2-methylpropyl)acetamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V027-4009 Screening compound: 2-{[2-methoxy-N-(2-methylpropyl)acetamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V027-4009 Screening compound: 2-{[2-methoxy-N-(2-methylpropyl)acetamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4009
2-{[2-methoxy-N-(2-methylpropyl)acetamido]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

V027-4009

Molecular Formula

C21H24F3NO5S (C21 H24 F3 NO5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CN(Cc(cccc1)c1OS(c1cc(C(F)(F)F)ccc1)(=O)=O)C(COC)=O

InChI

InChI=1S/C21H24F3NO5S/c1-15(2)12-25(20(26)14-29-3)13-16-7-4-5-10-19(16)30-31(27,28)18-9-6-8-17(11-18)21(22,23)24/h4-11,15H,12-14H2,1-3H3

InChI Key

VBNPWJSRQIHQSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20498581

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.976

Distribution Coefficient, logD

3.976

Water Solubility, LogSw

-4.14

Polar Surface Area

60.466

Acid Dissociation Constant (pKa)

21.82

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with V027-4009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4009?
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What is the minimum amount of V027-4009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4009
  • 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 V027-4009 available by request