8014-3695 Screening compound: 2-ethoxyethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8014-3695 Screening compound: 2-ethoxyethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8014-3695 Screening compound: 2-ethoxyethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-3695
2-ethoxyethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-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

8014-3695

Molecular Formula

C19H25ClN2O6 (C19 H25 ClN2 O6)

Compound Name

2-ethoxyethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

2-ethoxyethyl 4-(3-chloro-5-ethoxy-4-hydroxyphenyl)-16-dimethyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOCCOC(C(C(c(cc1OCC)cc(Cl)c1O)N1)=C(C)N(C)C1=O)=O

InChI

InChI=1S/C19H25ClN2O6/c1-5-26-7-8-28-18(24)15-11(3)22(4)19(25)21-16(15)12-9-13(20)17(23)14(10-12)27-6-2/h9-10,16,23H,5-8H2,1-4H3,(H,21,25)/t16-/m0/s1

InChI Key

CHRXYZTUZJRLMP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD03489272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.831

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.33

Polar Surface Area

79.390

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.37

8014-3695 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 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 8014-3695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-3695?
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What is the minimum amount of 8014-3695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-3695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-3695
  • 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 8014-3695 available by request