2332-0060 Screening compound: 2,4-dichloro-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(4-phenoxyphenyl)benzamide

2332-0060 Screening compound: 2,4-dichloro-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(4-phenoxyphenyl)benzamide
2332-0060 Screening compound: 2,4-dichloro-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(4-phenoxyphenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-0060
2,4-dichloro-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(4-phenoxyphenyl)benzamide

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

2332-0060

Molecular Formula

C34H24Cl2N2O4 (C34 H24 Cl2 N2 O4)

Compound Name

2,4-dichloro-N~1~-{3-[1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl]propyl}-N~1~-(4-phenoxyphenyl)benzamide

IUPAC name

24-dichloro-N-(3-{24-dioxo-3-azatricyclo[7.3.1.0^{513}]trideca-1(12)579(13)10-pentaen-3-yl}propyl)-N-(4-phenoxyphenyl)benzamide

SMILES

O=C(c(ccc(Cl)c1)c1Cl)N(CCCN(C(c1c2c3cccc2ccc1)=O)C3=O)c(cc1)ccc1Oc1ccccc1

InChI

InChI=1S/C34H24Cl2N2O4/c35-23-13-18-27(30(36)21-23)32(39)37(24-14-16-26(17-15-24)42-25-9-2-1-3-10-25)19-6-20-38-33(40)28-11-4-7-22-8-5-12-29(31(22)28)34(38)41/h1-5,7-18,21H,6,19-20H2

InChI Key

JOIFIQXOLHTJHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01537922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

595.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.911

Distribution Coefficient, logD

7.911

Water Solubility, LogSw

-6.86

Polar Surface Area

51.181

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.80

2332-0060 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 2332-0060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-0060?
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What is the minimum amount of 2332-0060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-0060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-0060
  • 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 2332-0060 available by request