V009-3417 Screening compound: benzyl 2-{[6,7,8-trimethoxy-3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate

V009-3417 Screening compound: benzyl 2-{[6,7,8-trimethoxy-3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
V009-3417 Screening compound: benzyl 2-{[6,7,8-trimethoxy-3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-3417
benzyl 2-{[6,7,8-trimethoxy-3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate

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

V009-3417

Molecular Formula

C27H26N2O6S (C27 H26 N2 O6 S)

Compound Name

benzyl 2-{[6,7,8-trimethoxy-3-(4-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate

IUPAC name

benzyl 2-{[678-trimethoxy-3-(4-methylphenyl)-4-oxo-34-dihydroquinazolin-2-yl]sulfanyl}acetate

SMILES

Cc(cc1)ccc1N(C(c1cc(OC)c2OC)=O)C(SCC(OCc3ccccc3)=O)=Nc1c2OC

InChI

InChI=1S/C27H26N2O6S/c1-17-10-12-19(13-11-17)29-26(31)20-14-21(32-2)24(33-3)25(34-4)23(20)28-27(29)36-16-22(30)35-15-18-8-6-5-7-9-18/h5-14H,15-16H2,1-4H3

InChI Key

QDRKGTMIICLJGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19858247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.959

Distribution Coefficient, logD

4.959

Water Solubility, LogSw

-4.92

Polar Surface Area

66.506

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V009-3417 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with V009-3417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-3417?
Check Price and Availability of V009-3417, 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 V009-3417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-3417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-3417
  • 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 V009-3417 available by request