8014-2744 Screening compound: 2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-[(4-methoxyphenyl)amino]butyl]-2,3-dihydro-1H-isoindole-1,3-dione

8014-2744 Screening compound: 2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-[(4-methoxyphenyl)amino]butyl]-2,3-dihydro-1H-isoindole-1,3-dione
8014-2744 Screening compound: 2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-[(4-methoxyphenyl)amino]butyl]-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2744
2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-[(4-methoxyphenyl)amino]butyl]-2,3-dihydro-1H-isoindole-1,3-dione

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

8014-2744

Molecular Formula

C27H28N2O5 (C27 H28 N2 O5)

Compound Name

2-[4-(4,4-dimethyl-2,6-dioxocyclohexylidene)-4-[(4-methoxyphenyl)amino]butyl]-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-[4-(44-dimethyl-26-dioxocyclohexylidene)-4-[(4-methoxyphenyl)amino]butyl]-23-dihydro-1H-isoindole-13-dione

SMILES

CC(C)(CC(C1=C(CCCN(C(c2c3cccc2)=O)C3=O)Nc(cc2)ccc2OC)=O)CC1=O

InChI

InChI=1S/C27H28N2O5/c1-27(2)15-22(30)24(23(31)16-27)21(28-17-10-12-18(34-3)13-11-17)9-6-14-29-25(32)19-7-4-5-8-20(19)26(29)33/h4-5,7-8,10-13,28H,6,9,14-16H2,1-3H3

InChI Key

BYWCTLDAJAPDGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.710

Distribution Coefficient, logD

2.683

Water Solubility, LogSw

-4.05

Polar Surface Area

74.118

Acid Dissociation Constant (pKa)

6.42

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8014-2744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2744?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2744
  • 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 8014-2744 available by request