V003-1389 Screening compound: 3-(2,5-dichlorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one

V003-1389 Screening compound: 3-(2,5-dichlorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
V003-1389 Screening compound: 3-(2,5-dichlorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-1389
3-(2,5-dichlorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-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

V003-1389

Molecular Formula

C22H16Cl2N2OS (C22 H16 Cl2 N2 OS)

Compound Name

3-(2,5-dichlorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one

IUPAC name

3-(25-dichlorophenyl)-2-{[(2-methylphenyl)methyl]sulfanyl}-34-dihydroquinazolin-4-one

SMILES

Cc1c(CSC(N2c(cc(cc3)Cl)c3Cl)=Nc(cccc3)c3C2=O)cccc1

InChI

InChI=1S/C22H16Cl2N2OS/c1-14-6-2-3-7-15(14)13-28-22-25-19-9-5-4-8-17(19)21(27)26(22)20-12-16(23)10-11-18(20)24/h2-12H,13H2,1H3

InChI Key

FFMMBEFJCUZLMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19855504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.102

Distribution Coefficient, logD

6.102

Water Solubility, LogSw

-5.96

Polar Surface Area

24.859

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

V003-1389 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V003-1389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-1389?
Check Price and Availability of V003-1389, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V003-1389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-1389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-1389
  • 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 V003-1389 available by request