8014-3698 Screening compound: 2-ethoxyethyl 4-(2-fluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8014-3698 Screening compound: 2-ethoxyethyl 4-(2-fluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8014-3698 Screening compound: 2-ethoxyethyl 4-(2-fluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-3698
2-ethoxyethyl 4-(2-fluorophenyl)-1,6-dimethyl-2-oxo-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

8014-3698

Molecular Formula

C17H21FN2O4 (C17 H21 FN2 O4)

Compound Name

2-ethoxyethyl 4-(2-fluorophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-ethoxyethyl 4-(2-fluorophenyl)-16-dimethyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOCCOC(C(C(c(cccc1)c1F)N1)=C(C)N(C)C1=O)=O

InChI

InChI=1S/C17H21FN2O4/c1-4-23-9-10-24-16(21)14-11(2)20(3)17(22)19-15(14)12-7-5-6-8-13(12)18/h5-8,15H,4,9-10H2,1-3H3,(H,19,22)/t15-/m0/s1

InChI Key

UGKZUXJAQBPWPL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03489275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.965

Distribution Coefficient, logD

1.962

Water Solubility, LogSw

-2.26

Polar Surface Area

56.700

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-4.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

8014-3698 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8014-3698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-3698?
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What is the minimum amount of 8014-3698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-3698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-3698
  • 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 8014-3698 available by request