4339-0554 Screening compound: 4-(2-bromophenyl)-N-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

4339-0554 Screening compound: 4-(2-bromophenyl)-N-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
4339-0554 Screening compound: 4-(2-bromophenyl)-N-(4-ethoxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4339-0554
4-(2-bromophenyl)-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

4339-0554

Molecular Formula

C20H20BrN3O3 (C20 H20 BrN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(C(C(c(cccc1)c1Br)N1)=C(C)NC1=O)=O

InChI

InChI=1S/C20H20BrN3O3/c1-3-27-14-10-8-13(9-11-14)23-19(25)17-12(2)22-20(26)24-18(17)15-6-4-5-7-16(15)21/h4-11,18H,3H2,1-2H3,(H,23,25)(H2,22,24,26)/t18-/m0/s1

InChI Key

QPNBSLWAZLNVKS-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01409821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

3.182

Water Solubility, LogSw

-3.43

Polar Surface Area

65.906

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4339-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4339-0554?
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What is the minimum amount of 4339-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4339-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4339-0554
  • 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 4339-0554 available by request