C561-1375 Screening compound: N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

C561-1375 Screening compound: N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
C561-1375 Screening compound: N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C561-1375
N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

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

C561-1375

Molecular Formula

C23H19BrN2O3 (C23 H19 BrN2 O3)

Compound Name

N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide

IUPAC name

N-(4-bromo-3-methylphenyl)-2-(4-methoxyphenyl)-3-oxo-23-dihydro-1H-isoindole-4-carboxamide

SMILES

Cc(cc(cc1)NC(c(cccc2CN3c(cc4)ccc4OC)c2C3=O)=O)c1Br

InChI

InChI=1S/C23H19BrN2O3/c1-14-12-16(6-11-20(14)24)25-22(27)19-5-3-4-15-13-26(23(28)21(15)19)17-7-9-18(29-2)10-8-17/h3-12H,13H2,1-2H3,(H,25,27)

InChI Key

OIKUASAJMCOQSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14770878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.070

Distribution Coefficient, logD

5.057

Water Solubility, LogSw

-4.80

Polar Surface Area

47.074

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C561-1375 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C561-1375 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C561-1375?
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What is the minimum amount of C561-1375 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C561-1375
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C561-1375
  • 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 C561-1375 available by request