2984-4772 Screening compound: cyclopentyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2984-4772 Screening compound: cyclopentyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2984-4772 Screening compound: cyclopentyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2984-4772
cyclopentyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-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

2984-4772

Molecular Formula

C29H27BrClNO5 (C29 H27 BrClNO5)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(CC(C1)c(cc2)ccc2Cl)=C(C2c(cc3OCOc3c3)c3Br)C1=O)=C2C(OC1CCCC1)=O

InChI

InChI=1S/C29H27BrClNO5/c1-15-26(29(34)37-19-4-2-3-5-19)27(20-12-24-25(13-21(20)30)36-14-35-24)28-22(32-15)10-17(11-23(28)33)16-6-8-18(31)9-7-16/h6-9,12-13,17,19,27,32H,2-5,10-11,14H2,1H3

InChI Key

MICVDDFWFDVODX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01824421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

584.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.936

Distribution Coefficient, logD

2.619

Water Solubility, LogSw

-6.52

Polar Surface Area

61.215

Acid Dissociation Constant (pKa)

3.08

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.90

2984-4772 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2984-4772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2984-4772?
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What is the minimum amount of 2984-4772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2984-4772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2984-4772
  • 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 2984-4772 available by request