V008-2180 Screening compound: ethyl 4-{[3-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate

V008-2180 Screening compound: ethyl 4-{[3-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate
V008-2180 Screening compound: ethyl 4-{[3-(3-chlorophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-2180
ethyl 4-{[3-(3-chlorophenyl)-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

V008-2180

Molecular Formula

C20H19ClN2O3S (C20 H19 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CCCSC(N1c2cccc(Cl)c2)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C20H19ClN2O3S/c1-2-26-18(24)11-6-12-27-20-22-17-10-4-3-9-16(17)19(25)23(20)15-8-5-7-14(21)13-15/h3-5,7-10,13H,2,6,11-12H2,1H3

InChI Key

QGDUMZUBEJJXEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19715698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.9

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

3.960

Distribution Coefficient, logD

3.960

Water Solubility, LogSw

-4.26

Polar Surface Area

45.590

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

2.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V008-2180 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

PI3K-Targeted Library (17255 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
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with V008-2180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-2180?
Check Price and Availability of V008-2180, 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 V008-2180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-2180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-2180
  • 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 V008-2180 available by request