1021-0059 Screening compound: 5-bromo-2-{[(3,4-dichlorophenyl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

1021-0059 Screening compound: 5-bromo-2-{[(3,4-dichlorophenyl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione
1021-0059 Screening compound: 5-bromo-2-{[(3,4-dichlorophenyl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1021-0059
5-bromo-2-{[(3,4-dichlorophenyl)amino]methyl}-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

1021-0059

Molecular Formula

C15H9BrCl2N2O2 (C15 H9 BrCl2 N2 O2)

Compound Name

5-bromo-2-{[(3,4-dichlorophenyl)amino]methyl}-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

5-bromo-2-{[(34-dichlorophenyl)amino]methyl}-23-dihydro-1H-isoindole-13-dione

SMILES

O=C(c(cc1)c2cc1Br)N(CNc(cc1)cc(Cl)c1Cl)C2=O

InChI

InChI=1S/C15H9BrCl2N2O2/c16-8-1-3-10-11(5-8)15(22)20(14(10)21)7-19-9-2-4-12(17)13(18)6-9/h1-6,19H,7H2

InChI Key

TXRKBJNXJSJATF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00595098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.06

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.061

Distribution Coefficient, logD

5.061

Water Solubility, LogSw

-5.27

Polar Surface Area

40.651

Acid Dissociation Constant (pKa)

13.17

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

1021-0059 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 1021-0059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1021-0059?
Check Price and Availability of 1021-0059, 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 1021-0059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1021-0059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1021-0059
  • 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 1021-0059 available by request