1959-0070 Screening compound: 8-(4-bromophenyl)-4c,7,7a,8,10,10a,11,13a-octahydrobenzo[f]cyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline

1959-0070 Screening compound: 8-(4-bromophenyl)-4c,7,7a,8,10,10a,11,13a-octahydrobenzo[f]cyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline
1959-0070 Screening compound: 8-(4-bromophenyl)-4c,7,7a,8,10,10a,11,13a-octahydrobenzo[f]cyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1959-0070
8-(4-bromophenyl)-4c,7,7a,8,10,10a,11,13a-octahydrobenzo[f]cyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline

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

1959-0070

Molecular Formula

C28H24BrN (C28 H24 BrN)

Compound Name

8-(4-bromophenyl)-4c,7,7a,8,10,10a,11,13a-octahydrobenzo[f]cyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline

IUPAC name

9-(4-bromophenyl)-8-azahexacyclo[13.7.1.0^{26}.0^{823}.0^{1014}.0^{1621}]tricosa-1(22)31215(23)16(21)1719-heptaene

SMILES

Brc1ccc(C(C2C3C=CC2)N2c4c3c3ccccc3cc4C3C=CCC3C2)cc1

InChI

InChI=1S/C28H24BrN/c29-20-13-11-17(12-14-20)27-24-10-4-9-23(24)26-22-7-2-1-5-18(22)15-25-21-8-3-6-19(21)16-30(27)28(25)26/h1-5,7-9,11-15,19,21,23-24,27H,6,10,16H2

InChI Key

MBJULZHHAYZACJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00700906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.41

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

7.892

Distribution Coefficient, logD

7.892

Water Solubility, LogSw

-7.38

Polar Surface Area

3.959

Acid Dissociation Constant (pKa)

16.18

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

28.60

1959-0070 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 1959-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1959-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1959-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1959-0070
  • 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 1959-0070 available by request