1959-0176 Screening compound: 8-(2,3-dichlorophenyl)-4c,7,7a,8,10,10a,11,13a-octahydrobenzo[f]cyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline

1959-0176 Screening compound: 8-(2,3-dichlorophenyl)-4c,7,7a,8,10,10a,11,13a-octahydrobenzo[f]cyclopenta[c]cyclopenta[4,5]pyrido[3,2,1-ij]quinoline
1959-0176 Screening compound: 8-(2,3-dichlorophenyl)-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 1959-0176
8-(2,3-dichlorophenyl)-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

1959-0176

Molecular Formula

C28H23Cl2N (C28 H23 Cl2 N)

Compound Name

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

IUPAC name

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

SMILES

Clc(cccc1C(C2C3C=CC2)N2c4c3c3ccccc3cc4C3C=CCC3C2)c1Cl

InChI

InChI=1S/C28H23Cl2N/c29-24-13-5-12-22(26(24)30)27-21-11-4-10-20(21)25-19-8-2-1-6-16(19)14-23-18-9-3-7-17(18)15-31(27)28(23)25/h1-6,8-10,12-14,17-18,20-21,27H,7,11,15H2

InChI Key

OOLWDDHOESJTDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01079683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.4

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

8.265

Distribution Coefficient, logD

8.265

Water Solubility, LogSw

-7.58

Polar Surface Area

3.959

Acid Dissociation Constant (pKa)

16.18

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

28.60

1959-0176 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1959-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1959-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1959-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1959-0176
  • 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 1959-0176 available by request