V005-1606 Screening compound: methyl 2-{[6,7,8-trimethoxy-3-(3-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate

V005-1606 Screening compound: methyl 2-{[6,7,8-trimethoxy-3-(3-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
V005-1606 Screening compound: methyl 2-{[6,7,8-trimethoxy-3-(3-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-1606
methyl 2-{[6,7,8-trimethoxy-3-(3-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

V005-1606

Molecular Formula

C21H22N2O6S (C21 H22 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(N(C(c2cc(OC)c3OC)=O)C(SCC(OC)=O)=Nc2c3OC)c1

InChI

InChI=1S/C21H22N2O6S/c1-12-7-6-8-13(9-12)23-20(25)14-10-15(26-2)18(28-4)19(29-5)17(14)22-21(23)30-11-16(24)27-3/h6-10H,11H2,1-5H3

InChI Key

ASWIIUHIMGXHMT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19858236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.173

Distribution Coefficient, logD

3.173

Water Solubility, LogSw

-3.33

Polar Surface Area

66.822

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

V005-1606 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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 V005-1606 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-1606?
Check Price and Availability of V005-1606, 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 V005-1606 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-1606
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-1606
  • 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 V005-1606 available by request