4339-0561 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-N-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

4339-0561 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-N-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
4339-0561 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-N-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4339-0561
4-(3-ethoxy-4-hydroxyphenyl)-N-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

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

4339-0561

Molecular Formula

C22H25N3O5 (C22 H25 N3 O5)

Compound Name

4-(3-ethoxy-4-hydroxyphenyl)-N-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

4-(3-ethoxy-4-hydroxyphenyl)-N-(4-ethoxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CCOc(cc1)ccc1NC(C(C(c(cc1)cc(OCC)c1O)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C22H25N3O5/c1-4-29-16-9-7-15(8-10-16)24-21(27)19-13(3)23-22(28)25-20(19)14-6-11-17(26)18(12-14)30-5-2/h6-12,20,26H,4-5H2,1-3H3,(H,24,27)(H2,23,25,28)/t20-/m1/s1

InChI Key

WOKQMTFMWLCVKI-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD01409830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.448

Distribution Coefficient, logD

2.444

Water Solubility, LogSw

-2.81

Polar Surface Area

89.665

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

4339-0561 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 4339-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4339-0561?
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What is the minimum amount of 4339-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4339-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4339-0561
  • 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 4339-0561 available by request