V027-9176 Screening compound: 3-{[2-methoxy-N-(2-methoxyethyl)acetamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V027-9176 Screening compound: 3-{[2-methoxy-N-(2-methoxyethyl)acetamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V027-9176 Screening compound: 3-{[2-methoxy-N-(2-methoxyethyl)acetamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9176
3-{[2-methoxy-N-(2-methoxyethyl)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

V027-9176

Molecular Formula

C20H22F3NO6S (C20 H22 F3 NO6 S)

Compound Name

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

IUPAC name

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

SMILES

COCCN(Cc1cccc(OS(c2cc(C(F)(F)F)ccc2)(=O)=O)c1)C(COC)=O

InChI

InChI=1S/C20H22F3NO6S/c1-28-10-9-24(19(25)14-29-2)13-15-5-3-7-17(11-15)30-31(26,27)18-8-4-6-16(12-18)20(21,22)23/h3-8,11-12H,9-10,13-14H2,1-2H3

InChI Key

NJECHSNAZKZIGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20492756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.46

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

2.517

Distribution Coefficient, logD

2.517

Water Solubility, LogSw

-2.78

Polar Surface Area

68.700

Acid Dissociation Constant (pKa)

21.82

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

References: we are preparing a list of scientific research reports with V027-9176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9176?
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What is the minimum amount of V027-9176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9176
  • 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 V027-9176 available by request