8006-5227 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylate

8006-5227 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylate
8006-5227 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5227
2-(4-bromophenyl)-2-oxoethyl 3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-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

8006-5227

Molecular Formula

C27H24BrNO3 (C27 H24 BrNO3)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 3b,6,6a,7,9,9a,10,12a-octahydrocyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline-2-carboxylate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 1-azapentacyclo[10.6.1.0^{37}.0^{819}.0^{1317}]nonadeca-581012(19)14-pentaene-10-carboxylate

SMILES

O=C(COC(c(cc1C2C=CCC2C2)cc3c1N2CC1C3C=CC1)=O)c(cc1)ccc1Br

InChI

InChI=1S/C27H24BrNO3/c28-20-9-7-16(8-10-20)25(30)15-32-27(31)19-11-23-21-5-1-3-17(21)13-29-14-18-4-2-6-22(18)24(12-19)26(23)29/h1-2,5-12,17-18,21-22H,3-4,13-15H2

InChI Key

YKJMQPTYJSHAOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00762568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.444

Distribution Coefficient, logD

6.444

Water Solubility, LogSw

-6.19

Polar Surface Area

38.666

Acid Dissociation Constant (pKa)

18.93

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

33.30

8006-5227 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8006-5227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5227?
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What is the minimum amount of 8006-5227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5227
  • 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 8006-5227 available by request