8015-6450 Screening compound: 2-(4-{4,4-dimethyl-2-[(4-methylphenyl)amino]-6-oxocyclohex-1-en-1-yl}-4-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione

8015-6450 Screening compound: 2-(4-{4,4-dimethyl-2-[(4-methylphenyl)amino]-6-oxocyclohex-1-en-1-yl}-4-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione
8015-6450 Screening compound: 2-(4-{4,4-dimethyl-2-[(4-methylphenyl)amino]-6-oxocyclohex-1-en-1-yl}-4-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6450
2-(4-{4,4-dimethyl-2-[(4-methylphenyl)amino]-6-oxocyclohex-1-en-1-yl}-4-oxobutyl)-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

8015-6450

Molecular Formula

C27H28N2O4 (C27 H28 N2 O4)

Compound Name

2-(4-{4,4-dimethyl-2-[(4-methylphenyl)amino]-6-oxocyclohex-1-en-1-yl}-4-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione

IUPAC name

2-(4-{44-dimethyl-2-[(4-methylphenyl)amino]-6-oxocyclohex-1-en-1-yl}-4-oxobutyl)-23-dihydro-1H-isoindole-13-dione

SMILES

CC(C)(C1)CC(Nc2ccc(C)cc2)=C(C(CCCN(C(c2c3cccc2)=O)C3=O)=O)C1=O

InChI

InChI=1S/C27H28N2O4/c1-17-10-12-18(13-11-17)28-21-15-27(2,3)16-23(31)24(21)22(30)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

NEZCQQBOIRMEMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.123

Distribution Coefficient, logD

2.863

Water Solubility, LogSw

-4.24

Polar Surface Area

64.878

Acid Dissociation Constant (pKa)

6.16

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 8015-6450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6450?
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What is the minimum amount of 8015-6450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6450
  • 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 8015-6450 available by request