3999-6223 Screening compound: ethyl 4-[3-(benzyloxy)-4-methoxyphenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

3999-6223 Screening compound: ethyl 4-[3-(benzyloxy)-4-methoxyphenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3999-6223 Screening compound: ethyl 4-[3-(benzyloxy)-4-methoxyphenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3999-6223
ethyl 4-[3-(benzyloxy)-4-methoxyphenyl]-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

3999-6223

Molecular Formula

C22H24N2O5 (C22 H24 N2 O5)

Compound Name

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

IUPAC name

ethyl 4-[3-(benzyloxy)-4-methoxyphenyl]-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cc1)cc(OCc2ccccc2)c1OC)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C22H24N2O5/c1-4-28-21(25)19-14(2)23-22(26)24-20(19)16-10-11-17(27-3)18(12-16)29-13-15-8-6-5-7-9-15/h5-12,20H,4,13H2,1-3H3,(H2,23,24,26)/t20-/m1/s1

InChI Key

YACXNTFATUJPFA-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD02188628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.647

Distribution Coefficient, logD

2.497

Water Solubility, LogSw

-3.07

Polar Surface Area

71.390

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-4.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

3999-6223 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3999-6223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3999-6223?
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What is the minimum amount of 3999-6223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3999-6223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3999-6223
  • 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 3999-6223 available by request