C612-0535 Screening compound: 3-[(4-bromophenyl)amino]-2-(5-chloropyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one

C612-0535 Screening compound: 3-[(4-bromophenyl)amino]-2-(5-chloropyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one
C612-0535 Screening compound: 3-[(4-bromophenyl)amino]-2-(5-chloropyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C612-0535
3-[(4-bromophenyl)amino]-2-(5-chloropyridin-2-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

C612-0535

Molecular Formula

C19H13BrClN3O (C19 H13 BrClN3 O)

Compound Name

3-[(4-bromophenyl)amino]-2-(5-chloropyridin-2-yl)-2,3-dihydro-1H-isoindol-1-one

IUPAC name

3-[(4-bromophenyl)amino]-2-(5-chloropyridin-2-yl)-23-dihydro-1H-isoindol-1-one

SMILES

O=C(c1c(C2Nc(cc3)ccc3Br)cccc1)N2c(cc1)ncc1Cl

InChI

InChI=1S/C19H13BrClN3O/c20-12-5-8-14(9-6-12)23-18-15-3-1-2-4-16(15)19(25)24(18)17-10-7-13(21)11-22-17/h1-11,18,23H/t18-/m0/s1

InChI Key

CIRNNVDAHMOYAZ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14775654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.69

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

5.418

Distribution Coefficient, logD

5.418

Water Solubility, LogSw

-6.05

Polar Surface Area

32.991

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.30

C612-0535 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C612-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C612-0535?
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What is the minimum amount of C612-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C612-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C612-0535
  • 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 C612-0535 available by request