8020-4592 Screening compound: methyl 4-(2,5-dimethylphenyl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8020-4592 Screening compound: methyl 4-(2,5-dimethylphenyl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8020-4592 Screening compound: methyl 4-(2,5-dimethylphenyl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4592
methyl 4-(2,5-dimethylphenyl)-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

8020-4592

Molecular Formula

C19H25N3O3S (C19 H25 N3 O3 S)

Compound Name

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

IUPAC name

methyl 4-(25-dimethylphenyl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

Cc1cc(C(C(C(OC)=O)=C(CN2CCSCC2)N2)NC2=O)c(C)cc1

InChI

InChI=1S/C19H25N3O3S/c1-12-4-5-13(2)14(10-12)17-16(18(23)25-3)15(20-19(24)21-17)11-22-6-8-26-9-7-22/h4-5,10,17H,6-9,11H2,1-3H3,(H2,20,21,24)/t17-/m1/s1

InChI Key

HFTJLBFOGHACBY-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD06632140

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.363

Distribution Coefficient, logD

2.363

Water Solubility, LogSw

-2.84

Polar Surface Area

61.205

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

9.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

8020-4592 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 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
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8020-4592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4592?
Check Price and Availability of 8020-4592, 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 8020-4592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4592
  • 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 8020-4592 available by request