5826-0330 Screening compound: 5-bromo-2-(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido)benzoic acid

5826-0330 Screening compound: 5-bromo-2-(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido)benzoic acid
5826-0330 Screening compound: 5-bromo-2-(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5826-0330
5-bromo-2-(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido)benzoic acid

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

5826-0330

Molecular Formula

C18H13BrN2O5 (C18 H13 BrN2 O5)

Compound Name

5-bromo-2-(2-ethyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-amido)benzoic acid

IUPAC name

5-bromo-2-(2-ethyl-13-dioxo-23-dihydro-1H-isoindole-5-amido)benzoic acid

SMILES

CCN(C(c(cc1)c2cc1C(Nc(ccc(Br)c1)c1C(O)=O)=O)=O)C2=O

InChI

InChI=1S/C18H13BrN2O5/c1-2-21-16(23)11-5-3-9(7-12(11)17(21)24)15(22)20-14-6-4-10(19)8-13(14)18(25)26/h3-8H,2H2,1H3,(H,20,22)(H,25,26)

InChI Key

GPJKYVQBQKMFHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03271653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.22

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.325

Distribution Coefficient, logD

-1.627

Water Solubility, LogSw

-3.53

Polar Surface Area

80.289

Acid Dissociation Constant (pKa)

2.45

Base Dissociation Constant (pKb)

-6.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

5826-0330 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5826-0330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5826-0330?
Check Price and Availability of 5826-0330, 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 5826-0330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5826-0330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5826-0330
  • 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 5826-0330 available by request