8005-2596 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl 4-bromo-3-(piperidine-1-sulfonyl)benzoate

8005-2596 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl 4-bromo-3-(piperidine-1-sulfonyl)benzoate
8005-2596 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl 4-bromo-3-(piperidine-1-sulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2596
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl 4-bromo-3-(piperidine-1-sulfonyl)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

8005-2596

Molecular Formula

C26H21BrN2O6S (C26 H21 BrN2 O6 S)

Compound Name

3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)phenyl 4-bromo-3-(piperidine-1-sulfonyl)benzoate

IUPAC name

3-(13-dioxo-23-dihydro-1H-isoindol-2-yl)phenyl 4-bromo-3-(piperidine-1-sulfonyl)benzoate

SMILES

O=C(c(cc1)cc(S(N2CCCCC2)(=O)=O)c1Br)Oc1cc(N(C(c2c3cccc2)=O)C3=O)ccc1

InChI

InChI=1S/C26H21BrN2O6S/c27-22-12-11-17(15-23(22)36(33,34)28-13-4-1-5-14-28)26(32)35-19-8-6-7-18(16-19)29-24(30)20-9-2-3-10-21(20)25(29)31/h2-3,6-12,15-16H,1,4-5,13-14H2

InChI Key

UWCGODNRATWJLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00747873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.43

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.604

Distribution Coefficient, logD

4.604

Water Solubility, LogSw

-4.38

Polar Surface Area

80.969

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

-5.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

8005-2596 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8005-2596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2596?
Check Price and Availability of 8005-2596, 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 8005-2596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2596
  • 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 8005-2596 available by request