V003-2949 Screening compound: 3-[4-(sec-butyl)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-4(3H)-quinazolinone

V003-2949 Screening compound: 3-[4-(sec-butyl)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-4(3H)-quinazolinone
V003-2949 Screening compound: 3-[4-(sec-butyl)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-2949
3-[4-(sec-butyl)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-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

V003-2949

Molecular Formula

C25H20F4N2O (C25 H20 F4 N2 O)

Compound Name

3-[4-(sec-butyl)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-4(3H)-quinazolinone

IUPAC name

n/a

SMILES

CCC(C)c(cc1)ccc1N(C(c(cc1)c(C(F)(F)F)cc1F)=Nc1c2cccc1)C2=O

InChI

InChI=1S/C25H20F4N2O/c1-3-15(2)16-8-11-18(12-9-16)31-23(30-22-7-5-4-6-20(22)24(31)32)19-13-10-17(26)14-21(19)25(27,28)29/h4-15H,3H2,1-2H3/t15-/m0/s1

InChI Key

IMPGPTRHVNHOSS-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD19945573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.490

Distribution Coefficient, logD

6.344

Water Solubility, LogSw

-5.76

Polar Surface Area

24.738

Acid Dissociation Constant (pKa)

24.43

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

V003-2949 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V003-2949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-2949?
Check Price and Availability of V003-2949, 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 V003-2949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-2949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-2949
  • 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 V003-2949 available by request