8001-0270 Screening compound: 2,6-bis[2-(3,4-dimethylphenoxy)ethyl]-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

8001-0270 Screening compound: 2,6-bis[2-(3,4-dimethylphenoxy)ethyl]-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
8001-0270 Screening compound: 2,6-bis[2-(3,4-dimethylphenoxy)ethyl]-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-0270
2,6-bis[2-(3,4-dimethylphenoxy)ethyl]-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

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

8001-0270

Molecular Formula

C30H28N2O6 (C30 H28 N2 O6)

Compound Name

2,6-bis[2-(3,4-dimethylphenoxy)ethyl]-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

IUPAC name

26-bis[2-(34-dimethylphenoxy)ethyl]-1H2H3H5H6H7H-pyrrolo[34-f]isoindole-1357-tetrone

SMILES

Cc(cc1)c(C)cc1OCCN(C(c(c1c2)cc(C(N3CCOc4cc(C)c(C)cc4)=O)c2C3=O)=O)C1=O

InChI

InChI=1S/C30H28N2O6/c1-17-5-7-21(13-19(17)3)37-11-9-31-27(33)23-15-25-26(16-24(23)28(31)34)30(36)32(29(25)35)10-12-38-22-8-6-18(2)20(4)14-22/h5-8,13-16H,9-12H2,1-4H3

InChI Key

NALDJHASCJVWNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00312355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.011

Distribution Coefficient, logD

6.011

Water Solubility, LogSw

-5.44

Polar Surface Area

73.536

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-10.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

8001-0270 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8001-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-0270?
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What is the minimum amount of 8001-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-0270
  • 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 8001-0270 available by request