0466-0286 Screening compound: 2-{[(3-acetylphenyl)amino]methyl}-5-bromo-2,3-dihydro-1H-isoindole-1,3-dione

0466-0286 Screening compound: 2-{[(3-acetylphenyl)amino]methyl}-5-bromo-2,3-dihydro-1H-isoindole-1,3-dione
0466-0286 Screening compound: 2-{[(3-acetylphenyl)amino]methyl}-5-bromo-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0466-0286
2-{[(3-acetylphenyl)amino]methyl}-5-bromo-2,3-dihydro-1H-isoindole-1,3-dione

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

0466-0286

Molecular Formula

C17H13BrN2O3 (C17 H13 BrN2 O3)

Compound Name

2-{[(3-acetylphenyl)amino]methyl}-5-bromo-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-{[(3-acetylphenyl)amino]methyl}-5-bromo-23-dihydro-1H-isoindole-13-dione

SMILES

CC(c1cccc(NCN(C(c(cc2)c3cc2Br)=O)C3=O)c1)=O

InChI

InChI=1S/C17H13BrN2O3/c1-10(21)11-3-2-4-13(7-11)19-9-20-16(22)14-6-5-12(18)8-15(14)17(20)23/h2-8,19H,9H2,1H3

InChI Key

HMPZDEDKUYTBEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00221871

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.328

Distribution Coefficient, logD

3.328

Water Solubility, LogSw

-3.64

Polar Surface Area

54.478

Acid Dissociation Constant (pKa)

15.13

Base Dissociation Constant (pKb)

-1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

0466-0286 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0466-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0466-0286?
Check Price and Availability of 0466-0286, 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 0466-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0466-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0466-0286
  • 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 0466-0286 available by request