V022-0623 Screening compound: 3-(2-methylbutyl)-1-(4-methylphenyl)-3-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]urea

V022-0623 Screening compound: 3-(2-methylbutyl)-1-(4-methylphenyl)-3-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]urea
V022-0623 Screening compound: 3-(2-methylbutyl)-1-(4-methylphenyl)-3-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0623
3-(2-methylbutyl)-1-(4-methylphenyl)-3-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]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

V022-0623

Molecular Formula

C32H41N3O3S (C32 H41 N3 O3 S)

Compound Name

3-(2-methylbutyl)-1-(4-methylphenyl)-3-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl)ethyl]urea

IUPAC name

3-(2-methylbutyl)-1-(4-methylphenyl)-3-[2-oxo-2-(4-{[4-(propan-2-yl)phenoxy]methyl}-4H5H6H7H-thieno[32-c]pyridin-5-yl)ethyl]urea

SMILES

CCC(C)CN(CC(N(CC1)C(COc2ccc(C(C)C)cc2)c2c1scc2)=O)C(Nc1ccc(C)cc1)=O

InChI

InChI=1S/C32H41N3O3S/c1-6-23(4)19-34(32(37)33-26-11-7-24(5)8-12-26)20-31(36)35-17-15-30-28(16-18-39-30)29(35)21-38-27-13-9-25(10-14-27)22(2)3/h7-14,16,18,22-23,29H,6,15,17,19-21H2,1-5H3,(H,33,37)

InChI Key

LTJHVNXMWWVRAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19867354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.76

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.917

Distribution Coefficient, logD

7.917

Water Solubility, LogSw

-5.69

Polar Surface Area

49.107

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.80

V022-0623 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 V022-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-0623?
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What is the minimum amount of V022-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0623
  • 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 V022-0623 available by request