V011-8331 Screening compound: 3-(2,5-dichlorophenyl)-2-{[(3,4-difluorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one

V011-8331 Screening compound: 3-(2,5-dichlorophenyl)-2-{[(3,4-difluorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one
V011-8331 Screening compound: 3-(2,5-dichlorophenyl)-2-{[(3,4-difluorophenyl)methyl]sulfanyl}-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-8331
3-(2,5-dichlorophenyl)-2-{[(3,4-difluorophenyl)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

V011-8331

Molecular Formula

C21H12Cl2F2N2OS (C21 H12 Cl2 F2 N2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C1N(c(cc(cc2)Cl)c2Cl)C(SCc(cc2)cc(F)c2F)=Nc2c1cccc2

InChI

InChI=1S/C21H12Cl2F2N2OS/c22-13-6-7-15(23)19(10-13)27-20(28)14-3-1-2-4-18(14)26-21(27)29-11-12-5-8-16(24)17(25)9-12/h1-10H,11H2

InChI Key

HLKSCNZDBVNKLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19855506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.31

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

5.527

Distribution Coefficient, logD

5.527

Water Solubility, LogSw

-5.90

Polar Surface Area

24.859

Acid Dissociation Constant (pKa)

33.26

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

V011-8331 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V011-8331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-8331?
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What is the minimum amount of V011-8331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-8331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-8331
  • 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 V011-8331 available by request