8015-7951 Screening compound: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(4-methylphenoxy)methyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

8015-7951 Screening compound: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(4-methylphenoxy)methyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
8015-7951 Screening compound: ethyl 4-(1,3-benzodioxol-5-yl)-6-[(4-methylphenoxy)methyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-7951
ethyl 4-(1,3-benzodioxol-5-yl)-6-[(4-methylphenoxy)methyl]-2-oxo-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

8015-7951

Molecular Formula

C22H22N2O6 (C22 H22 N2 O6)

Compound Name

ethyl 4-(1,3-benzodioxol-5-yl)-6-[(4-methylphenoxy)methyl]-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

ethyl 4-(2H-13-benzodioxol-5-yl)-6-[(4-methylphenoxy)methyl]-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)cc2c1OCO2)N1)=C(COc2ccc(C)cc2)NC1=O)=O

InChI

InChI=1S/C22H22N2O6/c1-3-27-21(25)19-16(11-28-15-7-4-13(2)5-8-15)23-22(26)24-20(19)14-6-9-17-18(10-14)30-12-29-17/h4-10,20H,3,11-12H2,1-2H3,(H2,23,24,26)/t20-/m1/s1

InChI Key

JSIZYHHHEIKJHC-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD05258438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.582

Distribution Coefficient, logD

3.318

Water Solubility, LogSw

-3.57

Polar Surface Area

81.395

Acid Dissociation Constant (pKa)

7.48

Base Dissociation Constant (pKb)

-4.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.27

References: we are preparing a list of scientific research reports with 8015-7951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-7951?
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What is the minimum amount of 8015-7951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-7951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-7951
  • 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 8015-7951 available by request