8019-7631 Screening compound: ethyl 6-[(benzoyloxy)methyl]-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

8019-7631 Screening compound: ethyl 6-[(benzoyloxy)methyl]-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
8019-7631 Screening compound: ethyl 6-[(benzoyloxy)methyl]-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7631
ethyl 6-[(benzoyloxy)methyl]-4-(4-methoxyphenyl)-1-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

8019-7631

Molecular Formula

C23H24N2O6 (C23 H24 N2 O6)

Compound Name

ethyl 6-[(benzoyloxy)methyl]-4-(4-methoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 6-[(benzoyloxy)methyl]-4-(4-methoxyphenyl)-1-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1OC)N1)=C(COC(c2ccccc2)=O)N(C)C1=O)=O

InChI

InChI=1S/C23H24N2O6/c1-4-30-22(27)19-18(14-31-21(26)16-8-6-5-7-9-16)25(2)23(28)24-20(19)15-10-12-17(29-3)13-11-15/h5-13,20H,4,14H2,1-3H3,(H,24,28)/t20-/m1/s1

InChI Key

VAGIAQUIQFYWAE-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD10039399

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.474

Distribution Coefficient, logD

3.474

Water Solubility, LogSw

-3.42

Polar Surface Area

77.191

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

-4.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

8019-7631 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8019-7631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7631?
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What is the minimum amount of 8019-7631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7631
  • 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 8019-7631 available by request