V026-2954 Screening compound: 5-{[1-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate

V026-2954 Screening compound: 5-{[1-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate
V026-2954 Screening compound: 5-{[1-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-2954
5-{[1-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl 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

V026-2954

Molecular Formula

C27H25F4NO6S (C27 H25 F4 NO6 S)

Compound Name

5-{[1-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate

IUPAC name

5-{[1-(2-fluorophenyl)-N-[(oxolan-2-yl)methyl]formamido]methyl}-2-methoxyphenyl 3-(trifluoromethyl)benzene-1-sulfonate

SMILES

COc(ccc(CN(CC1OCCC1)C(c(cccc1)c1F)=O)c1)c1OS(c1cc(C(F)(F)F)ccc1)(=O)=O

InChI

InChI=1S/C27H25F4NO6S/c1-36-24-12-11-18(14-25(24)38-39(34,35)21-8-4-6-19(15-21)27(29,30)31)16-32(17-20-7-5-13-37-20)26(33)22-9-2-3-10-23(22)28/h2-4,6,8-12,14-15,20H,5,7,13,16-17H2,1H3/t20-/m1/s1

InChI Key

JGWIBGPVLYJUNG-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD20498705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.272

Distribution Coefficient, logD

4.272

Water Solubility, LogSw

-4.46

Polar Surface Area

68.311

Acid Dissociation Constant (pKa)

26.48

Base Dissociation Constant (pKb)

-4.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

V026-2954 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V026-2954 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-2954?
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What is the minimum amount of V026-2954 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-2954
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-2954
  • 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 V026-2954 available by request