2056-0028 Screening compound: 2-{7,10-dichlorobenzo[h]quinolin-2-yl}-2,3-dihydro-1H-indene-1,3-dione

2056-0028 Screening compound: 2-{7,10-dichlorobenzo[h]quinolin-2-yl}-2,3-dihydro-1H-indene-1,3-dione
2056-0028 Screening compound: 2-{7,10-dichlorobenzo[h]quinolin-2-yl}-2,3-dihydro-1H-indene-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2056-0028
2-{7,10-dichlorobenzo[h]quinolin-2-yl}-2,3-dihydro-1H-indene-1,3-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

2056-0028

Molecular Formula

C22H11Cl2NO2 (C22 H11 Cl2 NO2)

Compound Name

2-{7,10-dichlorobenzo[h]quinolin-2-yl}-2,3-dihydro-1H-indene-1,3-dione

IUPAC name

2-{710-dichlorobenzo[h]quinolin-2-yl}-23-dihydro-1H-indene-13-dione

SMILES

O=C(C1c(ccc2ccc34)nc2c3c(Cl)ccc4Cl)c(cccc2)c2C1=O

InChI

InChI=1S/C22H11Cl2NO2/c23-15-8-9-16(24)18-14(15)7-5-11-6-10-17(25-20(11)18)19-21(26)12-3-1-2-4-13(12)22(19)27/h1-10,19H

InChI Key

PGOBRUIZFZVTHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01151362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.305

Distribution Coefficient, logD

2.808

Water Solubility, LogSw

-6.53

Polar Surface Area

35.376

Acid Dissociation Constant (pKa)

3.90

Base Dissociation Constant (pKb)

-4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

2056-0028 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2056-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2056-0028?
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What is the minimum amount of 2056-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2056-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2056-0028
  • 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 2056-0028 available by request