8015-6525 Screening compound: methyl 4-(2,3-dihydro-1H-isoindole-2-sulfonyl)benzoate

8015-6525 Screening compound: methyl 4-(2,3-dihydro-1H-isoindole-2-sulfonyl)benzoate
8015-6525 Screening compound: methyl 4-(2,3-dihydro-1H-isoindole-2-sulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6525
methyl 4-(2,3-dihydro-1H-isoindole-2-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

8015-6525

Molecular Formula

C16H15NO4S (C16 H15 NO4 S)

Compound Name

methyl 4-(2,3-dihydro-1H-isoindole-2-sulfonyl)benzoate

IUPAC name

methyl 4-(23-dihydro-1H-isoindole-2-sulfonyl)benzoate

SMILES

COC(c(cc1)ccc1S(N(C1)Cc2c1cccc2)(=O)=O)=O

InChI

InChI=1S/C16H15NO4S/c1-21-16(18)12-6-8-15(9-7-12)22(19,20)17-10-13-4-2-3-5-14(13)11-17/h2-9H,10-11H2,1H3

InChI Key

FQSMBTDJGGLLGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257392

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.148

Distribution Coefficient, logD

3.148

Water Solubility, LogSw

-3.33

Polar Surface Area

53.085

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8015-6525 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antimitotic Tubulin Library (17355 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8015-6525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6525?
Check Price and Availability of 8015-6525, 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 8015-6525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6525
  • 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 8015-6525 available by request