C430-0416 Screening compound: 3-[(2-bromophenyl)amino]-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one

C430-0416 Screening compound: 3-[(2-bromophenyl)amino]-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one
C430-0416 Screening compound: 3-[(2-bromophenyl)amino]-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C430-0416
3-[(2-bromophenyl)amino]-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one

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

C430-0416

Molecular Formula

C19H14BrN3O (C19 H14 BrN3 O)

Compound Name

3-[(2-bromophenyl)amino]-2-(pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one

IUPAC name

3-[(2-bromophenyl)amino]-2-(pyridin-3-yl)-23-dihydro-1H-isoindol-1-one

SMILES

O=C(c1c(C2Nc(cccc3)c3Br)cccc1)N2c1cnccc1

InChI

InChI=1S/C19H14BrN3O/c20-16-9-3-4-10-17(16)22-18-14-7-1-2-8-15(14)19(24)23(18)13-6-5-11-21-12-13/h1-12,18,22H/t18-/m0/s1

InChI Key

QHSCHUSTHAJCTB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14756521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.670

Distribution Coefficient, logD

3.670

Water Solubility, LogSw

-3.85

Polar Surface Area

33.210

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.30

C430-0416 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C430-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C430-0416?
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What is the minimum amount of C430-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C430-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C430-0416
  • 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 C430-0416 available by request