C614-0366 Screening compound: 3-[(4-bromophenyl)amino]-2-(4-chlorophenyl)-2,3-dihydro-1H-isoindol-1-one

C614-0366 Screening compound: 3-[(4-bromophenyl)amino]-2-(4-chlorophenyl)-2,3-dihydro-1H-isoindol-1-one
C614-0366 Screening compound: 3-[(4-bromophenyl)amino]-2-(4-chlorophenyl)-2,3-dihydro-1H-isoindol-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C614-0366
3-[(4-bromophenyl)amino]-2-(4-chlorophenyl)-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

C614-0366

Molecular Formula

C20H14BrClN2O (C20 H14 BrClN2 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c(C2Nc(cc3)ccc3Br)cccc1)N2c(cc1)ccc1Cl

InChI

InChI=1S/C20H14BrClN2O/c21-13-5-9-15(10-6-13)23-19-17-3-1-2-4-18(17)20(25)24(19)16-11-7-14(22)8-12-16/h1-12,19,23H/t19-/m0/s1

InChI Key

KNJMSDSPJGNEHM-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14776155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.7

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.617

Distribution Coefficient, logD

5.617

Water Solubility, LogSw

-6.08

Polar Surface Area

24.390

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.00

C614-0366 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C614-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C614-0366?
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What is the minimum amount of C614-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C614-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C614-0366
  • 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 C614-0366 available by request