8005-5962 Screening compound: 4-[(4-methylphenyl)carbamoyl]phenyl morpholine-4-carbothioate

8005-5962 Screening compound: 4-[(4-methylphenyl)carbamoyl]phenyl morpholine-4-carbothioate
8005-5962 Screening compound: 4-[(4-methylphenyl)carbamoyl]phenyl morpholine-4-carbothioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5962
4-[(4-methylphenyl)carbamoyl]phenyl morpholine-4-carbothioate

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

8005-5962

Molecular Formula

C19H20N2O3S (C19 H20 N2 O3 S)

Compound Name

4-[(4-methylphenyl)carbamoyl]phenyl morpholine-4-carbothioate

IUPAC name

4-[(4-methylphenyl)carbamoyl]phenyl morpholine-4-carbothioate

SMILES

Cc(cc1)ccc1NC(c(cc1)ccc1OC(N1CCOCC1)=S)=O

InChI

InChI=1S/C19H20N2O3S/c1-14-2-6-16(7-3-14)20-18(22)15-4-8-17(9-5-15)24-19(25)21-10-12-23-13-11-21/h2-9H,10-13H2,1H3,(H,20,22)

InChI Key

UQXMIAHNDGAVIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00820713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.535

Distribution Coefficient, logD

3.535

Water Solubility, LogSw

-3.73

Polar Surface Area

38.716

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

8005-5962 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8005-5962 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5962?
Check Price and Availability of 8005-5962, 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 8005-5962 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5962
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5962
  • 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 8005-5962 available by request