8005-5565 Screening compound: 2-[2-(2-chlorophenoxy)ethyl]-5-({2-[2-(2-chlorophenoxy)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)-1H-isoindole-1,3(2H)-dione

8005-5565 Screening compound: 2-[2-(2-chlorophenoxy)ethyl]-5-({2-[2-(2-chlorophenoxy)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)-1H-isoindole-1,3(2H)-dione
8005-5565 Screening compound: 2-[2-(2-chlorophenoxy)ethyl]-5-({2-[2-(2-chlorophenoxy)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)-1H-isoindole-1,3(2H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-5565
2-[2-(2-chlorophenoxy)ethyl]-5-({2-[2-(2-chlorophenoxy)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)-1H-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

8005-5565

Molecular Formula

C32H22Cl2N2O7 (C32 H22 Cl2 N2 O7)

Compound Name

2-[2-(2-chlorophenoxy)ethyl]-5-({2-[2-(2-chlorophenoxy)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl}oxy)-1H-isoindole-1,3(2H)-dione

IUPAC name

2-[2-(2-chlorophenoxy)ethyl]-5-({2-[2-(2-chlorophenoxy)ethyl]-13-dioxo-23-dihydro-1H-isoindol-5-yl}oxy)-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(c(cc1)c2cc1Oc(cc1)cc(C(N3CCOc(cccc4)c4Cl)=O)c1C3=O)N(CCOc(cccc1)c1Cl)C2=O

InChI

InChI=1S/C32H22Cl2N2O7/c33-25-5-1-3-7-27(25)41-15-13-35-29(37)21-11-9-19(17-23(21)31(35)39)43-20-10-12-22-24(18-20)32(40)36(30(22)38)14-16-42-28-8-4-2-6-26(28)34/h1-12,17-18H,13-16H2

InChI Key

DQZWXPTWTZUSGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00312377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

617.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.229

Distribution Coefficient, logD

6.229

Water Solubility, LogSw

-6.22

Polar Surface Area

80.458

Acid Dissociation Constant (pKa)

29.66

Base Dissociation Constant (pKb)

-7.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8005-5565 in Drug Discovery

Included in Screening Libraries

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

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 8005-5565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-5565?
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What is the minimum amount of 8005-5565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-5565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-5565
  • 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 8005-5565 available by request