3497-0027 Screening compound: methyl 2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate

3497-0027 Screening compound: methyl 2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate
3497-0027 Screening compound: methyl 2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3497-0027
methyl 2-[(4-oxo-3-phenyl-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

3497-0027

Molecular Formula

C17H14N2O3S (C17 H14 N2 O3 S)

Compound Name

methyl 2-[(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate

IUPAC name

methyl 2-[(4-oxo-3-phenyl-34-dihydroquinazolin-2-yl)sulfanyl]acetate

SMILES

COC(CSC(N1c2ccccc2)=Nc(cccc2)c2C1=O)=O

InChI

InChI=1S/C17H14N2O3S/c1-22-15(20)11-23-17-18-14-10-6-5-9-13(14)16(21)19(17)12-7-3-2-4-8-12/h2-10H,11H2,1H3

InChI Key

QBKFJJSNKWKRRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01219531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.073

Distribution Coefficient, logD

2.073

Water Solubility, LogSw

-2.78

Polar Surface Area

46.010

Acid Dissociation Constant (pKa)

29.37

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

3497-0027 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3497-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3497-0027?
Check Price and Availability of 3497-0027, 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 3497-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3497-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3497-0027
  • 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 3497-0027 available by request