2677-4287 Screening compound: 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

2677-4287 Screening compound: 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
2677-4287 Screening compound: 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2677-4287
4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-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

2677-4287

Molecular Formula

C24H18BrClN2O3 (C24 H18 BrClN2 O3)

Compound Name

4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile

IUPAC name

4-(6-bromo-2H-13-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carbonitrile

SMILES

CC(NC(CC(C1)c(cc2)ccc2Cl)=C(C2c(cc3OCOc3c3)c3Br)C1=O)=C2C#N

InChI

InChI=1S/C24H18BrClN2O3/c1-12-17(10-27)23(16-8-21-22(9-18(16)25)31-11-30-21)24-19(28-12)6-14(7-20(24)29)13-2-4-15(26)5-3-13/h2-5,8-9,14,23,28H,6-7,11H2,1H3

InChI Key

OWXPKWRWIKFOSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01656007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.78

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.581

Distribution Coefficient, logD

2.650

Water Solubility, LogSw

-6.18

Polar Surface Area

57.821

Acid Dissociation Constant (pKa)

4.47

Base Dissociation Constant (pKb)

-3.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

2677-4287 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2677-4287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2677-4287?
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What is the minimum amount of 2677-4287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2677-4287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2677-4287
  • 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 2677-4287 available by request