8020-4149 Screening compound: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8020-4149 Screening compound: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8020-4149 Screening compound: ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-4149
ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-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

8020-4149

Molecular Formula

C16H18N2O5 (C16 H18 N2 O5)

Compound Name

ethyl 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(23-dihydro-14-benzodioxin-6-yl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)cc2c1OCCO2)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C16H18N2O5/c1-3-21-15(19)13-9(2)17-16(20)18-14(13)10-4-5-11-12(8-10)23-7-6-22-11/h4-5,8,14H,3,6-7H2,1-2H3,(H2,17,18,20)/t14-/m1/s1

InChI Key

RLQHKARIJHBUGY-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01931419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.744

Distribution Coefficient, logD

0.594

Water Solubility, LogSw

-1.90

Polar Surface Area

72.268

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

8020-4149 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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

References: we are preparing a list of scientific research reports with 8020-4149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-4149?
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What is the minimum amount of 8020-4149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-4149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-4149
  • 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 8020-4149 available by request