8015-7173 Screening compound: ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8015-7173 Screening compound: ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8015-7173 Screening compound: ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-7173
ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

8015-7173

Molecular Formula

C19H23N3O5S (C19 H23 N3 O5 S)

Compound Name

ethyl 4-(2H-1,3-benzodioxol-5-yl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(2H-13-benzodioxol-5-yl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)cc2c1OCO2)N1)=C(CN2CCSCC2)NC1=O)=O

InChI

InChI=1S/C19H23N3O5S/c1-2-25-18(23)16-13(10-22-5-7-28-8-6-22)20-19(24)21-17(16)12-3-4-14-15(9-12)27-11-26-14/h3-4,9,17H,2,5-8,10-11H2,1H3,(H2,20,21,24)/t17-/m1/s1

InChI Key

GSHAQNLOTQWYDL-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD05257904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.817

Distribution Coefficient, logD

1.817

Water Solubility, LogSw

-2.69

Polar Surface Area

77.900

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

9.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

8015-7173 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8015-7173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-7173?
Check Price and Availability of 8015-7173, 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 8015-7173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-7173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-7173
  • 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 8015-7173 available by request