8015-6453 Screening compound: 2-(4-{4,4-dimethyl-2-[(4-nitrophenyl)amino]-6-oxocyclohex-1-en-1-yl}-4-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione

8015-6453 Screening compound: 2-(4-{4,4-dimethyl-2-[(4-nitrophenyl)amino]-6-oxocyclohex-1-en-1-yl}-4-oxobutyl)-2,3-dihydro-1H-isoindole-1,3-dione
8015-6453 Screening compound: 2-(4-{4,4-dimethyl-2-[(4-nitrophenyl)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 8015-6453
2-(4-{4,4-dimethyl-2-[(4-nitrophenyl)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

8015-6453

Molecular Formula

C26H25N3O6 (C26 H25 N3 O6)

Compound Name

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

SMILES

CC(C)(C1)CC(Nc(cc2)ccc2[N+]([O-])=O)=C(C(CCCN(C(c2c3cccc2)=O)C3=O)=O)C1=O

InChI

InChI=1S/C26H25N3O6/c1-26(2)14-20(27-16-9-11-17(12-10-16)29(34)35)23(22(31)15-26)21(30)8-5-13-28-24(32)18-6-3-4-7-19(18)25(28)33/h3-4,6-7,9-12,27H,5,8,13-15H2,1-2H3

InChI Key

NPUHJTSFFXAZBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05257323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.625

Distribution Coefficient, logD

-0.421

Water Solubility, LogSw

-3.91

Polar Surface Area

98.260

Acid Dissociation Constant (pKa)

3.35

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 8015-6453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6453?
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What is the minimum amount of 8015-6453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6453
  • 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 8015-6453 available by request