V022-0264 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(2-methylbutyl)urea

V022-0264 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(2-methylbutyl)urea
V022-0264 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(2-methylbutyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0264
1-(3-chlorophenyl)-3-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(2-methylbutyl)urea

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

V022-0264

Molecular Formula

C29H34ClN3O4S (C29 H34 ClN3 O4 S)

Compound Name

1-(3-chlorophenyl)-3-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(2-methylbutyl)urea

IUPAC name

1-(3-chlorophenyl)-3-(2-{4-[(2-methoxyphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-3-(2-methylbutyl)urea

SMILES

CCC(C)CN(CC(N(CC1)C(COc(cccc2)c2OC)c2c1scc2)=O)C(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C29H34ClN3O4S/c1-4-20(2)17-32(29(35)31-22-9-7-8-21(30)16-22)18-28(34)33-14-12-27-23(13-15-38-27)24(33)19-37-26-11-6-5-10-25(26)36-3/h5-11,13,15-16,20,24H,4,12,14,17-19H2,1-3H3,(H,31,35)

InChI Key

VAHHJJRDVCZMBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19867453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.13

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.781

Distribution Coefficient, logD

6.781

Water Solubility, LogSw

-6.21

Polar Surface Area

56.824

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

V022-0264 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 V022-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of V022-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0264
  • 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 V022-0264 available by request