C429-0150 Screening compound: 3-[(2-bromophenyl)amino]-2-[(furan-2-yl)methyl]-2,3-dihydro-1H-isoindol-1-one

C429-0150 Screening compound: 3-[(2-bromophenyl)amino]-2-[(furan-2-yl)methyl]-2,3-dihydro-1H-isoindol-1-one
C429-0150 Screening compound: 3-[(2-bromophenyl)amino]-2-[(furan-2-yl)methyl]-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-0150
3-[(2-bromophenyl)amino]-2-[(furan-2-yl)methyl]-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

C429-0150

Molecular Formula

C19H15BrN2O2 (C19 H15 BrN2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c2cccc1)N(Cc1ccco1)C2Nc(cccc1)c1Br

InChI

InChI=1S/C19H15BrN2O2/c20-16-9-3-4-10-17(16)21-18-14-7-1-2-8-15(14)19(23)22(18)12-13-6-5-11-24-13/h1-11,18,21H,12H2/t18-/m0/s1

InChI Key

RRKCAKSPFZJHGL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14755991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.24

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.273

Distribution Coefficient, logD

4.273

Water Solubility, LogSw

-4.44

Polar Surface Area

32.053

Acid Dissociation Constant (pKa)

16.93

Base Dissociation Constant (pKb)

-1.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.50

C429-0150 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C429-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-0150?
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What is the minimum amount of C429-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-0150
  • 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 C429-0150 available by request