8020-4540 Screening compound: ethyl 4-(4-methylphenyl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8020-4540 Screening compound: ethyl 4-(4-methylphenyl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8020-4540 Screening compound: ethyl 4-(4-methylphenyl)-2-oxo-6-[(thiomorpholin-4-yl)methyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4540
ethyl 4-(4-methylphenyl)-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

8020-4540

Molecular Formula

C19H25N3O3S (C19 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C(c1ccc(C)cc1)N1)=C(CN2CCSCC2)NC1=O)=O

InChI

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

InChI Key

CCNNQNKOFHLGOW-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD07154995

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

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.181

Distribution Coefficient, logD

2.181

Water Solubility, LogSw

-2.78

Polar Surface Area

60.785

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

9.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.40

8020-4540 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8020-4540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4540?
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What is the minimum amount of 8020-4540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4540
  • 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 8020-4540 available by request