4383-0015 Screening compound: 4-(2-bromophenyl)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

4383-0015 Screening compound: 4-(2-bromophenyl)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
4383-0015 Screening compound: 4-(2-bromophenyl)-N-(3,4-difluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4383-0015
4-(2-bromophenyl)-N-(3,4-difluorophenyl)-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

4383-0015

Molecular Formula

C18H14BrF2N3O2 (C18 H14 BrF2 N3 O2)

Compound Name

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

IUPAC name

4-(2-bromophenyl)-N-(34-difluorophenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxamide

SMILES

CC(NC(NC1c(cccc2)c2Br)=O)=C1C(Nc(cc1)cc(F)c1F)=O

InChI

InChI=1S/C18H14BrF2N3O2/c1-9-15(17(25)23-10-6-7-13(20)14(21)8-10)16(24-18(26)22-9)11-4-2-3-5-12(11)19/h2-8,16H,1H3,(H,23,25)(H2,22,24,26)/t16-/m0/s1

InChI Key

GKHIKWPTRDYNDI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02844688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.23

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.265

Distribution Coefficient, logD

3.130

Water Solubility, LogSw

-3.54

Polar Surface Area

58.783

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

4383-0015 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4383-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4383-0015?
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What is the minimum amount of 4383-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4383-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4383-0015
  • 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 4383-0015 available by request