8014-3589 Screening compound: 2-ethoxyethyl 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

8014-3589 Screening compound: 2-ethoxyethyl 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
8014-3589 Screening compound: 2-ethoxyethyl 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-3589
2-ethoxyethyl 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

8014-3589

Molecular Formula

C18H21F3N2O4 (C18 H21 F3 N2 O4)

Compound Name

2-ethoxyethyl 1,6-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

2-ethoxyethyl 16-dimethyl-2-oxo-4-[4-(trifluoromethyl)phenyl]-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOCCOC(C(C(c1ccc(C(F)(F)F)cc1)N1)=C(C)N(C)C1=O)=O

InChI

InChI=1S/C18H21F3N2O4/c1-4-26-9-10-27-16(24)14-11(2)23(3)17(25)22-15(14)12-5-7-13(8-6-12)18(19,20)21/h5-8,15H,4,9-10H2,1-3H3,(H,22,25)/t15-/m0/s1

InChI Key

NWSMBTBQIADDNF-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03489179

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.603

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-2.89

Polar Surface Area

56.700

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.44

8014-3589 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8014-3589 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-3589?
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What is the minimum amount of 8014-3589 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-3589
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-3589
  • 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 8014-3589 available by request