V027-9199 Screening compound: 3-{[N-(2-methoxyethyl)-1-(thiophen-2-yl)formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate

V027-9199 Screening compound: 3-{[N-(2-methoxyethyl)-1-(thiophen-2-yl)formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate
V027-9199 Screening compound: 3-{[N-(2-methoxyethyl)-1-(thiophen-2-yl)formamido]methyl}phenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-9199
3-{[N-(2-methoxyethyl)-1-(thiophen-2-yl)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

V027-9199

Molecular Formula

C22H20F3NO5S2 (C22 H20 F3 NO5 S2)

Compound Name

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

IUPAC name

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

SMILES

COCCN(Cc1cccc(OS(c2cc(C(F)(F)F)ccc2)(=O)=O)c1)C(c1cccs1)=O

InChI

InChI=1S/C22H20F3NO5S2/c1-30-11-10-26(21(27)20-9-4-12-32-20)15-16-5-2-7-18(13-16)31-33(28,29)19-8-3-6-17(14-19)22(23,24)25/h2-9,12-14H,10-11,15H2,1H3

InChI Key

SYGFVZUDTXDXDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20492749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.53

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

4.400

Distribution Coefficient, logD

4.400

Water Solubility, LogSw

-4.35

Polar Surface Area

61.550

Acid Dissociation Constant (pKa)

28.42

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

V027-9199 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V027-9199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-9199?
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What is the minimum amount of V027-9199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-9199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-9199
  • 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 V027-9199 available by request