3591-0097 Screening compound: 4-(3,4-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

3591-0097 Screening compound: 4-(3,4-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
3591-0097 Screening compound: 4-(3,4-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3591-0097
4-(3,4-dimethoxyphenyl)-N-(2,3-dimethylphenyl)-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

3591-0097

Molecular Formula

C22H25N3O4 (C22 H25 N3 O4)

Compound Name

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

IUPAC name

4-(34-dimethoxyphenyl)-N-(23-dimethylphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxamide

SMILES

Cc1cccc(NC(C(C(c(cc2)cc(OC)c2OC)N2)=C(C)NC2=O)=O)c1C

InChI

InChI=1S/C22H25N3O4/c1-12-7-6-8-16(13(12)2)24-21(26)19-14(3)23-22(27)25-20(19)15-9-10-17(28-4)18(11-15)29-5/h6-11,20H,1-5H3,(H,24,26)(H2,23,25,27)/t20-/m1/s1

InChI Key

UUZNXJKLEPPUKQ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD01950825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.806

Distribution Coefficient, logD

2.802

Water Solubility, LogSw

-3.22

Polar Surface Area

73.346

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

3591-0097 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 3591-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3591-0097?
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What is the minimum amount of 3591-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3591-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3591-0097
  • 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 3591-0097 available by request