3591-0094 Screening compound: N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

3591-0094 Screening compound: N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
3591-0094 Screening compound: N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3591-0094
N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-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

3591-0094

Molecular Formula

C21H23N3O3 (C21 H23 N3 O3)

Compound Name

N-(2,3-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

IUPAC name

N-(23-dimethylphenyl)-4-(4-methoxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxamide

SMILES

Cc1cccc(NC(C(C(c(cc2)ccc2OC)N2)=C(C)NC2=O)=O)c1C

InChI

InChI=1S/C21H23N3O3/c1-12-6-5-7-17(13(12)2)23-20(25)18-14(3)22-21(26)24-19(18)15-8-10-16(27-4)11-9-15/h5-11,19H,1-4H3,(H,23,25)(H2,22,24,26)/t19-/m1/s1

InChI Key

BCUBXOZIRJFLPJ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD01956804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.027

Distribution Coefficient, logD

3.016

Water Solubility, LogSw

-3.25

Polar Surface Area

65.629

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

3591-0094 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 3591-0094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3591-0094?
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What is the minimum amount of 3591-0094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3591-0094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3591-0094
  • 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 3591-0094 available by request