1657-0182 Screening compound: 2-(3-chloro-4-methylphenyl)-3a,3b,4,5,6,7,8,9,9a,9b-decahydro-1H-dicyclopenta[e,g]isoindole-1,3(2H)-dione

1657-0182 Screening compound: 2-(3-chloro-4-methylphenyl)-3a,3b,4,5,6,7,8,9,9a,9b-decahydro-1H-dicyclopenta[e,g]isoindole-1,3(2H)-dione
1657-0182 Screening compound: 2-(3-chloro-4-methylphenyl)-3a,3b,4,5,6,7,8,9,9a,9b-decahydro-1H-dicyclopenta[e,g]isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1657-0182
2-(3-chloro-4-methylphenyl)-3a,3b,4,5,6,7,8,9,9a,9b-decahydro-1H-dicyclopenta[e,g]isoindole-1,3(2H)-dione

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

1657-0182

Molecular Formula

C21H22ClNO2 (C21 H22 ClNO2)

Compound Name

2-(3-chloro-4-methylphenyl)-3a,3b,4,5,6,7,8,9,9a,9b-decahydro-1H-dicyclopenta[e,g]isoindole-1,3(2H)-dione

IUPAC name

4-(3-chloro-4-methylphenyl)-4-azatetracyclo[10.3.0.0^{26}.0^{711}]pentadec-11-ene-35-dione

SMILES

Cc(ccc(N(C(C1C2C(CCC3)C3=C3C1CCC3)=O)C2=O)c1)c1Cl

InChI

InChI=1S/C21H22ClNO2/c1-11-8-9-12(10-17(11)22)23-20(24)18-15-6-2-4-13(15)14-5-3-7-16(14)19(18)21(23)25/h8-10,15-16,18-19H,2-7H2,1H3

InChI Key

LXWFZMOMVNLPLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01070578

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.771

Distribution Coefficient, logD

3.771

Water Solubility, LogSw

-4.18

Polar Surface Area

29.645

Acid Dissociation Constant (pKa)

17.08

Base Dissociation Constant (pKb)

-8.16

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

52.40

1657-0182 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Anti-HIV1 Library (19540 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1657-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1657-0182?
Check Price and Availability of 1657-0182, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1657-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1657-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1657-0182
  • 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 1657-0182 available by request