V005-1468 Screening compound: ethyl 2-{[3-(5-chloro-2-methylphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}pentanoate

V005-1468 Screening compound: ethyl 2-{[3-(5-chloro-2-methylphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}pentanoate
V005-1468 Screening compound: ethyl 2-{[3-(5-chloro-2-methylphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}pentanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-1468
ethyl 2-{[3-(5-chloro-2-methylphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}pentanoate

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

V005-1468

Molecular Formula

C22H23ClN2O3S (C22 H23 ClN2 O3 S)

Compound Name

ethyl 2-{[3-(5-chloro-2-methylphenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]sulfanyl}pentanoate

IUPAC name

ethyl 2-{[3-(5-chloro-2-methylphenyl)-4-oxo-34-dihydroquinazolin-2-yl]sulfanyl}pentanoate

SMILES

CCCC(C(OCC)=O)SC(N1c2c(C)ccc(Cl)c2)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C22H23ClN2O3S/c1-4-8-19(21(27)28-5-2)29-22-24-17-10-7-6-9-16(17)20(26)25(22)18-13-15(23)12-11-14(18)3/h6-7,9-13,19H,4-5,8H2,1-3H3/t19-/m0/s1

InChI Key

SMTAWVROBCUWNY-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19857967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.95

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

5.531

Distribution Coefficient, logD

5.531

Water Solubility, LogSw

-5.78

Polar Surface Area

45.884

Acid Dissociation Constant (pKa)

27.12

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

V005-1468 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with V005-1468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-1468?
Check Price and Availability of V005-1468, 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 V005-1468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-1468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-1468
  • 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 V005-1468 available by request