4052-1031 Screening compound: 3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

4052-1031 Screening compound: 3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
4052-1031 Screening compound: 3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4052-1031
3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-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

4052-1031

Molecular Formula

C11H10N2OS (C11 H10 N2 OS)

Compound Name

3-(prop-2-en-1-yl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-(prop-2-en-1-yl)-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

C=CCN(C(c(cccc1)c1N1)=O)C1=S

InChI

InChI=1S/C11H10N2OS/c1-2-7-13-10(14)8-5-3-4-6-9(8)12-11(13)15/h2-6H,1,7H2,(H,12,15)

InChI Key

SJUBWTIKDYWHEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00087280

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

218.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.343

Distribution Coefficient, logD

2.342

Water Solubility, LogSw

-3.07

Polar Surface Area

27.568

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

-8.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4052-1031 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4052-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4052-1031?
Check Price and Availability of 4052-1031, 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 4052-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4052-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4052-1031
  • 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 4052-1031 available by request