V004-3561 Screening compound: 3-(4-fluorophenyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one

V004-3561 Screening compound: 3-(4-fluorophenyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one
V004-3561 Screening compound: 3-(4-fluorophenyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-3561
3-(4-fluorophenyl)-2-({[3-(trifluoromethyl)phenyl]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

V004-3561

Molecular Formula

C22H14F4N2OS (C22 H14 F4 N2 OS)

Compound Name

3-(4-fluorophenyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-(4-fluorophenyl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-34-dihydroquinazolin-4-one

SMILES

O=C1N(c(cc2)ccc2F)C(SCc2cc(C(F)(F)F)ccc2)=Nc2c1cccc2

InChI

InChI=1S/C22H14F4N2OS/c23-16-8-10-17(11-9-16)28-20(29)18-6-1-2-7-19(18)27-21(28)30-13-14-4-3-5-15(12-14)22(24,25)26/h1-12H,13H2

InChI Key

VVKMDGVXPOODOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06547100

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.962

Distribution Coefficient, logD

4.962

Water Solubility, LogSw

-4.92

Polar Surface Area

25.159

Acid Dissociation Constant (pKa)

34.50

Base Dissociation Constant (pKb)

3.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

V004-3561 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

PI3K-Targeted Library (17255 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with V004-3561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-3561?
Check Price and Availability of V004-3561, 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 V004-3561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-3561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-3561
  • 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 V004-3561 available by request