4339-0449 Screening compound: N-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

4339-0449 Screening compound: N-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
4339-0449 Screening compound: N-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4339-0449
N-(4-bromophenyl)-4-(2,5-dimethoxyphenyl)-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

4339-0449

Molecular Formula

C20H20BrN3O4 (C20 H20 BrN3 O4)

Compound Name

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

IUPAC name

N-(4-bromophenyl)-4-(25-dimethoxyphenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CC(NC(NC1c(cc(cc2)OC)c2OC)=O)=C1C(Nc(cc1)ccc1Br)=O

InChI

InChI=1S/C20H20BrN3O4/c1-11-17(19(25)23-13-6-4-12(21)5-7-13)18(24-20(26)22-11)15-10-14(27-2)8-9-16(15)28-3/h4-10,18H,1-3H3,(H,23,25)(H2,22,24,26)/t18-/m0/s1

InChI Key

WDIAXPDCLROMOV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD00618597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.3

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

3.329

Distribution Coefficient, logD

3.296

Water Solubility, LogSw

-3.63

Polar Surface Area

73.957

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

4339-0449 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4339-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4339-0449?
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What is the minimum amount of 4339-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4339-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4339-0449
  • 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 4339-0449 available by request