1630-1113 Screening compound: cyclohexyl 4-(2-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

1630-1113 Screening compound: cyclohexyl 4-(2-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
1630-1113 Screening compound: cyclohexyl 4-(2-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-1113
cyclohexyl 4-(2-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

1630-1113

Molecular Formula

C18H21BrN2O3 (C18 H21 BrN2 O3)

Compound Name

cyclohexyl 4-(2-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

cyclohexyl 4-(2-bromophenyl)-6-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CC(NC(NC1c(cccc2)c2Br)=O)=C1C(OC1CCCCC1)=O

InChI

InChI=1S/C18H21BrN2O3/c1-11-15(17(22)24-12-7-3-2-4-8-12)16(21-18(23)20-11)13-9-5-6-10-14(13)19/h5-6,9-10,12,16H,2-4,7-8H2,1H3,(H2,20,21,23)/t16-/m0/s1

InChI Key

OZFPQBGJDSODDF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00624024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.795

Distribution Coefficient, logD

3.687

Water Solubility, LogSw

-3.90

Polar Surface Area

55.775

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

-4.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

1630-1113 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

KRAS-Targeted Library (16000 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1630-1113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1113?
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What is the minimum amount of 1630-1113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1113
  • 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 1630-1113 available by request