0369-0005 Screening compound: 3-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-1H-indol-5-yl 4-chlorobenzoate

0369-0005 Screening compound: 3-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-1H-indol-5-yl 4-chlorobenzoate
0369-0005 Screening compound: 3-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-1H-indol-5-yl 4-chlorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0369-0005
3-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-1H-indol-5-yl 4-chlorobenzoate

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

0369-0005

Molecular Formula

C25H17ClN2O4 (C25 H17 ClN2 O4)

Compound Name

3-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)ethyl]-1H-indol-5-yl 4-chlorobenzoate

IUPAC name

3-[2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)ethyl]-1H-indol-5-yl 4-chlorobenzoate

SMILES

O=C(c(cc1)ccc1Cl)Oc(cc1)cc2c1[nH]cc2CCN(C(c1c2cccc1)=O)C2=O

InChI

InChI=1S/C25H17ClN2O4/c26-17-7-5-15(6-8-17)25(31)32-18-9-10-22-21(13-18)16(14-27-22)11-12-28-23(29)19-3-1-2-4-20(19)24(28)30/h1-10,13-14,27H,11-12H2

InChI Key

UWERZGVCFNOSCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00337272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.87

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.668

Distribution Coefficient, logD

4.668

Water Solubility, LogSw

-4.91

Polar Surface Area

59.718

Acid Dissociation Constant (pKa)

18.49

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

0369-0005 in Drug Discovery

Included in Screening Libraries

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0369-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0369-0005?
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What is the minimum amount of 0369-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0369-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0369-0005
  • 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 0369-0005 available by request