V002-3062 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(2-methylbutyl)urea

V002-3062 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(2,4-dimethylphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-(2-methylbutyl)urea
V002-3062 Screening compound: 1-(3-chlorophenyl)-3-(2-{4-[(2,4-dimethylphenoxy)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 V002-3062
1-(3-chlorophenyl)-3-(2-{4-[(2,4-dimethylphenoxy)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

V002-3062

Molecular Formula

C30H36ClN3O3S (C30 H36 ClN3 O3 S)

Compound Name

1-(3-chlorophenyl)-3-(2-{4-[(2,4-dimethylphenoxy)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-[(24-dimethylphenoxy)methyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}-2-oxoethyl)-3-(2-methylbutyl)urea

SMILES

CCC(C)CN(CC(N(CC1)C(COc2c(C)cc(C)cc2)c2c1scc2)=O)C(Nc1cccc(Cl)c1)=O

InChI

InChI=1S/C30H36ClN3O3S/c1-5-20(2)17-33(30(36)32-24-8-6-7-23(31)16-24)18-29(35)34-13-11-28-25(12-14-38-28)26(34)19-37-27-10-9-21(3)15-22(27)4/h6-10,12,14-16,20,26H,5,11,13,17-19H2,1-4H3,(H,32,36)

InChI Key

IZJSDPRRYPROQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19867492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.15

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.158

Distribution Coefficient, logD

8.158

Water Solubility, LogSw

-6.32

Polar Surface Area

49.194

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

2.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

V002-3062 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 V002-3062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-3062?
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What is the minimum amount of V002-3062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-3062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-3062
  • 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 V002-3062 available by request