V013-6709 Screening compound: (5E)-3-(3,4-dichlorophenyl)-5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one

V013-6709 Screening compound: (5E)-3-(3,4-dichlorophenyl)-5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
V013-6709 Screening compound: (5E)-3-(3,4-dichlorophenyl)-5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6709
(5E)-3-(3,4-dichlorophenyl)-5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one

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

V013-6709

Molecular Formula

C19H14Cl2N2O4S (C19 H14 Cl2 N2 O4 S)

Compound Name

(5E)-3-(3,4-dichlorophenyl)-5-[(7-methoxy-2H-1,3-benzodioxol-5-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one

IUPAC name

(5E)-3-(34-dichlorophenyl)-5-[(7-methoxy-2H-13-benzodioxol-5-yl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one

SMILES

CN(/C(/C(N1c(cc2)cc(Cl)c2Cl)=O)=C/c2cc(OC)c3OCOc3c2)C1=S

InChI

InChI=1S/C19H14Cl2N2O4S/c1-22-14(5-10-6-15(25-2)17-16(7-10)26-9-27-17)18(24)23(19(22)28)11-3-4-12(20)13(21)8-11/h3-8H,9H2,1-2H3

InChI Key

VGUSJFMWSLPOAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27627403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.323

Distribution Coefficient, logD

4.323

Water Solubility, LogSw

-4.56

Polar Surface Area

41.732

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

V013-6709 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V013-6709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6709?
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What is the minimum amount of V013-6709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6709
  • 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 V013-6709 available by request