V022-1131 Screening compound: 3-fluoro-N-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(2-methylbutyl)benzamide

V022-1131 Screening compound: 3-fluoro-N-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(2-methylbutyl)benzamide
V022-1131 Screening compound: 3-fluoro-N-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(2-methylbutyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-1131
3-fluoro-N-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-N-(2-methylbutyl)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

V022-1131

Molecular Formula

C29H33FN2O4S (C29 H33 FN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)CN(CC(N(CC1)C(COc(cccc2)c2OC)c2c1scc2)=O)C(c1cc(F)ccc1)=O

InChI

InChI=1S/C29H33FN2O4S/c1-4-20(2)17-31(29(34)21-8-7-9-22(30)16-21)18-28(33)32-14-12-27-23(13-15-37-27)24(32)19-36-26-11-6-5-10-25(26)35-3/h5-11,13,15-16,20,24H,4,12,14,17-19H2,1-3H3

InChI Key

XLOMWQJXSAKKNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19865925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.668

Distribution Coefficient, logD

5.668

Water Solubility, LogSw

-5.47

Polar Surface Area

48.003

Acid Dissociation Constant (pKa)

22.33

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

V022-1131 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 V022-1131 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V022-1131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-1131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-1131
  • 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 V022-1131 available by request