V005-9578 Screening compound: 2-[(2-FLUOROBENZYL)SULFANYL]-3-(4-FLUOROPHENYL)-4(3H)-QUINAZOLINONE

V005-9578 Screening compound: 2-[(2-FLUOROBENZYL)SULFANYL]-3-(4-FLUOROPHENYL)-4(3H)-QUINAZOLINONE
V005-9578 Screening compound: 2-[(2-FLUOROBENZYL)SULFANYL]-3-(4-FLUOROPHENYL)-4(3H)-QUINAZOLINONE alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9578
2-[(2-FLUOROBENZYL)SULFANYL]-3-(4-FLUOROPHENYL)-4(3H)-QUINAZOLINONE

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

V005-9578

Molecular Formula

C21H14F2N2OS (C21 H14 F2 N2 OS)

Compound Name

2-[(2-FLUOROBENZYL)SULFANYL]-3-(4-FLUOROPHENYL)-4(3H)-QUINAZOLINONE

IUPAC name

n/a

SMILES

O=C1N(c(cc2)ccc2F)C(SCc(cccc2)c2F)=Nc2c1cccc2

InChI

InChI=1S/C21H14F2N2OS/c22-15-9-11-16(12-10-15)25-20(26)17-6-2-4-8-19(17)24-21(25)27-13-14-5-1-3-7-18(14)23/h1-12H,13H2

InChI Key

PGHJIZKWOOYPTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19855446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.42

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

4.492

Distribution Coefficient, logD

4.492

Water Solubility, LogSw

-4.56

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

4.80

V005-9578 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with V005-9578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9578?
Check Price and Availability of V005-9578, 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 V005-9578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9578
  • 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 V005-9578 available by request