V022-3655 Screening compound: 3-fluoro-N-(2-{4-[(2-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide

V022-3655 Screening compound: 3-fluoro-N-(2-{4-[(2-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide
V022-3655 Screening compound: 3-fluoro-N-(2-{4-[(2-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-3655
3-fluoro-N-(2-{4-[(2-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide

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

V022-3655

Molecular Formula

C29H31FN2O4S (C29 H31 FN2 O4 S)

Compound Name

3-fluoro-N-(2-{4-[(2-methylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide

IUPAC name

3-fluoro-N-(2-{4-[(2-methylphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-N-[(oxolan-2-yl)methyl]benzamide

SMILES

Cc(cccc1)c1OCC(c1c(CC2)scc1)N2C(CN(CC1OCCC1)C(c1cc(F)ccc1)=O)=O

InChI

InChI=1S/C29H31FN2O4S/c1-20-6-2-3-10-26(20)36-19-25-24-12-15-37-27(24)11-13-32(25)28(33)18-31(17-23-9-5-14-35-23)29(34)21-7-4-8-22(30)16-21/h2-4,6-8,10,12,15-16,23,25H,5,9,11,13-14,17-19H2,1H3

InChI Key

TZQLSJUUQFLDML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19867260

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.692

Distribution Coefficient, logD

4.692

Water Solubility, LogSw

-4.54

Polar Surface Area

48.756

Acid Dissociation Constant (pKa)

22.36

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

V022-3655 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 V022-3655 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-3655?
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What is the minimum amount of V022-3655 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-3655
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-3655
  • 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 V022-3655 available by request