5782-4434 Screening compound: 4-chlorophenyl 3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate

5782-4434 Screening compound: 4-chlorophenyl 3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate
5782-4434 Screening compound: 4-chlorophenyl 3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-4434
4-chlorophenyl 3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate

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

5782-4434

Molecular Formula

C21H18ClNO4 (C21 H18 ClNO4)

Compound Name

4-chlorophenyl 3-(1,3-dioxo-octahydro-1H-isoindol-2-yl)benzoate

IUPAC name

4-chlorophenyl 3-(13-dioxo-octahydro-1H-isoindol-2-yl)benzoate

SMILES

O=C(c1cc(N(C(C2C3CCCC2)=O)C3=O)ccc1)Oc(cc1)ccc1Cl

InChI

InChI=1S/C21H18ClNO4/c22-14-8-10-16(11-9-14)27-21(26)13-4-3-5-15(12-13)23-19(24)17-6-1-2-7-18(17)20(23)25/h3-5,8-12,17-18H,1-2,6-7H2

InChI Key

XEALVYOHJGDZBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03146012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.83

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.653

Distribution Coefficient, logD

3.653

Water Solubility, LogSw

-4.31

Polar Surface Area

49.450

Acid Dissociation Constant (pKa)

17.93

Base Dissociation Constant (pKb)

-4.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

5782-4434 in Drug Discovery

Included in Screening Libraries

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

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 5782-4434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-4434?
Check Price and Availability of 5782-4434, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5782-4434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-4434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-4434
  • 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 5782-4434 available by request