8011-2559 Screening compound: 3-(3-chlorophenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

8011-2559 Screening compound: 3-(3-chlorophenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
8011-2559 Screening compound: 3-(3-chlorophenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-2559
3-(3-chlorophenyl)-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

8011-2559

Molecular Formula

C14H9ClN2OS (C14 H9 ClN2 OS)

Compound Name

3-(3-chlorophenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-(3-chlorophenyl)-2-sulfanylidene-1234-tetrahydroquinazolin-4-one

SMILES

O=C(c(cccc1)c1N1)N(c2cccc(Cl)c2)C1=S

InChI

InChI=1S/C14H9ClN2OS/c15-9-4-3-5-10(8-9)17-13(18)11-6-1-2-7-12(11)16-14(17)19/h1-8H,(H,16,19)

InChI Key

AWJSTKNFJYVLBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00125841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.507

Distribution Coefficient, logD

3.459

Water Solubility, LogSw

-3.96

Polar Surface Area

26.706

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

-9.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8011-2559 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8011-2559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-2559?
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What is the minimum amount of 8011-2559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-2559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-2559
  • 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 8011-2559 available by request