4075-3485 Screening compound: 3-ethyl-2-(methylsulfanyl)-3,4-dihydroquinazolin-4-one

4075-3485 Screening compound: 3-ethyl-2-(methylsulfanyl)-3,4-dihydroquinazolin-4-one
4075-3485 Screening compound: 3-ethyl-2-(methylsulfanyl)-3,4-dihydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4075-3485
3-ethyl-2-(methylsulfanyl)-3,4-dihydroquinazolin-4-one

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

4075-3485

Molecular Formula

C11H12N2OS (C11 H12 N2 OS)

Compound Name

3-ethyl-2-(methylsulfanyl)-3,4-dihydroquinazolin-4-one

IUPAC name

3-ethyl-2-(methylsulfanyl)-34-dihydroquinazolin-4-one

SMILES

CCN1C(SC)=Nc(cccc2)c2C1=O

InChI

InChI=1S/C11H12N2OS/c1-3-13-10(14)8-6-4-5-7-9(8)12-11(13)15-2/h4-7H,3H2,1-2H3

InChI Key

VKCYNIPWAJDPCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01416431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.938

Distribution Coefficient, logD

1.938

Water Solubility, LogSw

-2.53

Polar Surface Area

26.039

Acid Dissociation Constant (pKa)

30.16

Base Dissociation Constant (pKb)

1.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

4075-3485 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 4075-3485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4075-3485?
Check Price and Availability of 4075-3485, 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 4075-3485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4075-3485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4075-3485
  • 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 4075-3485 available by request