8003-7082 Screening compound: N-(2,6-dimethylphenyl)-2-morpholino-2-thioxoacetamide

8003-7082 Screening compound: N-(2,6-dimethylphenyl)-2-morpholino-2-thioxoacetamide
8003-7082 Screening compound: N-(2,6-dimethylphenyl)-2-morpholino-2-thioxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-7082
N-(2,6-dimethylphenyl)-2-morpholino-2-thioxoacetamide

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

8003-7082

Molecular Formula

C14H18N2O2S (C14 H18 N2 O2 S)

Compound Name

N-(2,6-dimethylphenyl)-2-morpholino-2-thioxoacetamide

IUPAC name

N-(26-dimethylphenyl)-2-(morpholin-4-yl)-2-sulfanylideneacetamide

SMILES

Cc1cccc(C)c1NC(C(N1CCOCC1)=S)=O

InChI

InChI=1S/C14H18N2O2S/c1-10-4-3-5-11(2)12(10)15-13(17)14(19)16-6-8-18-9-7-16/h3-5H,6-9H2,1-2H3,(H,15,17)

InChI Key

UWZGNIBZLSYASB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00490746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.742

Distribution Coefficient, logD

0.574

Water Solubility, LogSw

-2.33

Polar Surface Area

32.062

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

6.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

8003-7082 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8003-7082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-7082?
Check Price and Availability of 8003-7082, 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 8003-7082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-7082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-7082
  • 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 8003-7082 available by request