1834-0012 Screening compound: 4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

1834-0012 Screening compound: 4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
1834-0012 Screening compound: 4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1834-0012
4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

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

1834-0012

Molecular Formula

C17H15BrN2O (C17 H15 BrN2 O)

Compound Name

4-(4-bromophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

4-(4-bromophenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(NC(CCC1)=C(C2c(cc3)ccc3Br)C1=O)=C2C#N

InChI

InChI=1S/C17H15BrN2O/c1-10-13(9-19)16(11-5-7-12(18)8-6-11)17-14(20-10)3-2-4-15(17)21/h5-8,16,20H,2-4H2,1H3/t16-/m1/s1

InChI Key

ZWZQDTWAJBYOBK-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD00785477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.22

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.467

Distribution Coefficient, logD

0.957

Water Solubility, LogSw

-3.76

Polar Surface Area

40.977

Acid Dissociation Constant (pKa)

4.89

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

1834-0012 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 1834-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1834-0012?
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What is the minimum amount of 1834-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1834-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1834-0012
  • 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 1834-0012 available by request