5782-5821 Screening compound: 4-CHLORO-2-(5-METHYL-1,3-DIOXO-OCTAHYDRO-1H-ISOINDOL-2-YL)PHENYL FURAN-2-CARBOXYLATE

5782-5821 Screening compound: 4-CHLORO-2-(5-METHYL-1,3-DIOXO-OCTAHYDRO-1H-ISOINDOL-2-YL)PHENYL FURAN-2-CARBOXYLATE
5782-5821 Screening compound: 4-CHLORO-2-(5-METHYL-1,3-DIOXO-OCTAHYDRO-1H-ISOINDOL-2-YL)PHENYL FURAN-2-CARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 5782-5821
4-CHLORO-2-(5-METHYL-1,3-DIOXO-OCTAHYDRO-1H-ISOINDOL-2-YL)PHENYL FURAN-2-CARBOXYLATE

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

5782-5821

Molecular Formula

C20H18ClNO5 (C20 H18 ClNO5)

Compound Name

4-CHLORO-2-(5-METHYL-1,3-DIOXO-OCTAHYDRO-1H-ISOINDOL-2-YL)PHENYL FURAN-2-CARBOXYLATE

IUPAC name

n/a

SMILES

CC(CCC1C(N2c(cc(cc3)Cl)c3OC(c3ccco3)=O)=O)CC1C2=O

InChI

InChI=1S/C20H18ClNO5/c1-11-4-6-13-14(9-11)19(24)22(18(13)23)15-10-12(21)5-7-16(15)27-20(25)17-3-2-8-26-17/h2-3,5,7-8,10-11,13-14H,4,6,9H2,1H3

InChI Key

BHABKFZVSPMSAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03355513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.82

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.323

Distribution Coefficient, logD

3.323

Water Solubility, LogSw

-3.81

Polar Surface Area

57.814

Acid Dissociation Constant (pKa)

17.26

Base Dissociation Constant (pKb)

-7.20

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

35.00

5782-5821 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5782-5821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5782-5821?
Check Price and Availability of 5782-5821, 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 5782-5821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5782-5821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5782-5821
  • 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 5782-5821 available by request