V011-0604 Screening compound: ethyl 4-{[3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate

V011-0604 Screening compound: ethyl 4-{[3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate
V011-0604 Screening compound: ethyl 4-{[3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V011-0604
ethyl 4-{[3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate

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

V011-0604

Molecular Formula

C22H24N2O3S (C22 H24 N2 O3 S)

Compound Name

ethyl 4-{[3-(3,5-dimethylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate

IUPAC name

ethyl 4-{[3-(35-dimethylphenyl)-4-oxo-34-dihydroquinazolin-2-yl]sulfanyl}butanoate

SMILES

CCOC(CCCSC(N1c2cc(C)cc(C)c2)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C22H24N2O3S/c1-4-27-20(25)10-7-11-28-22-23-19-9-6-5-8-18(19)21(26)24(22)17-13-15(2)12-16(3)14-17/h5-6,8-9,12-14H,4,7,10-11H2,1-3H3

InChI Key

KHSIGBDFYXDBFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19857970

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.355

Distribution Coefficient, logD

4.355

Water Solubility, LogSw

-4.30

Polar Surface Area

45.590

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

V011-0604 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 compounds)

Serine Proteases Inhibitors Library (32732 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
  • 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 V011-0604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V011-0604?
Check Price and Availability of V011-0604, 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 V011-0604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V011-0604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V011-0604
  • 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 V011-0604 available by request