V003-3179 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-(pyrrolidin-1-yl)ethyl]urea

V003-3179 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-(pyrrolidin-1-yl)ethyl]urea
V003-3179 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-(pyrrolidin-1-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-3179
1-(3-chlorophenyl)-3-(2-{4-[(2-methoxyphenoxy)methyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}-2-oxoethyl)-3-[2-(pyrrolidin-1-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

V003-3179

Molecular Formula

C30H35ClN4O4S (C30 H35 ClN4 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-(pyrrolidin-1-yl)ethyl]urea

IUPAC name

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

SMILES

COc(cccc1)c1OCC(c1c(CC2)scc1)N2C(CN(CCN1CCCC1)C(Nc1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C30H35ClN4O4S/c1-38-26-9-2-3-10-27(26)39-21-25-24-12-18-40-28(24)11-15-35(25)29(36)20-34(17-16-33-13-4-5-14-33)30(37)32-23-8-6-7-22(31)19-23/h2-3,6-10,12,18-19,25H,4-5,11,13-17,20-21H2,1H3,(H,32,37)/t25-/m0/s1

InChI Key

ZVMXCDIHJSEULA-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19867411

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

583.15

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.276

Distribution Coefficient, logD

2.299

Water Solubility, LogSw

-5.69

Polar Surface Area

60.879

Acid Dissociation Constant (pKa)

12.16

Base Dissociation Constant (pKb)

10.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V003-3179 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 V003-3179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-3179?
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What is the minimum amount of V003-3179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-3179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-3179
  • 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 V003-3179 available by request