8009-7486 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[4-(4-cyanophenoxy)phenyl]-1,3-dioxo-5-isoindolinecarboxylate

8009-7486 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[4-(4-cyanophenoxy)phenyl]-1,3-dioxo-5-isoindolinecarboxylate
8009-7486 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 2-[4-(4-cyanophenoxy)phenyl]-1,3-dioxo-5-isoindolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7486
2-(4-chlorophenyl)-2-oxoethyl 2-[4-(4-cyanophenoxy)phenyl]-1,3-dioxo-5-isoindolinecarboxylate

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

8009-7486

Molecular Formula

C30H17ClN2O6 (C30 H17 ClN2 O6)

Compound Name

2-(4-chlorophenyl)-2-oxoethyl 2-[4-(4-cyanophenoxy)phenyl]-1,3-dioxo-5-isoindolinecarboxylate

IUPAC name

2-(4-chlorophenyl)-2-oxoethyl 2-[4-(4-cyanophenoxy)phenyl]-13-dioxo-23-dihydro-1H-isoindole-5-carboxylate

SMILES

N#Cc(cc1)ccc1Oc(cc1)ccc1N(C(c(cc1)c2cc1C(OCC(c(cc1)ccc1Cl)=O)=O)=O)C2=O

InChI

InChI=1S/C30H17ClN2O6/c31-21-6-3-19(4-7-21)27(34)17-38-30(37)20-5-14-25-26(15-20)29(36)33(28(25)35)22-8-12-24(13-9-22)39-23-10-1-18(16-32)2-11-23/h1-15H,17H2

InChI Key

FESFAQWBGVLJKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01577224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

536.93

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.922

Distribution Coefficient, logD

5.922

Water Solubility, LogSw

-6.24

Polar Surface Area

86.788

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

-7.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.33

8009-7486 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8009-7486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7486?
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What is the minimum amount of 8009-7486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7486
  • 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 8009-7486 available by request