3289-5678 Screening compound: 2,6-bis(4-hydroxy-2-methylphenyl)-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

3289-5678 Screening compound: 2,6-bis(4-hydroxy-2-methylphenyl)-1H,2H,3H,5H,6H,7H-pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
3289-5678 Screening compound: 2,6-bis(4-hydroxy-2-methylphenyl)-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 3289-5678
2,6-bis(4-hydroxy-2-methylphenyl)-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

3289-5678

Molecular Formula

C24H16N2O6 (C24 H16 N2 O6)

Compound Name

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

IUPAC name

26-bis(4-hydroxy-2-methylphenyl)-1H2H3H5H6H7H-pyrrolo[34-f]isoindole-1357-tetrone

SMILES

Cc(cc(cc1)O)c1N(C(c(c1c2)cc(C(N3c(cc4)c(C)cc4O)=O)c2C3=O)=O)C1=O

InChI

InChI=1S/C24H16N2O6/c1-11-7-13(27)3-5-19(11)25-21(29)15-9-17-18(10-16(15)22(25)30)24(32)26(23(17)31)20-6-4-14(28)8-12(20)2/h3-10,27-28H,1-2H3

InChI Key

RYXPSGXVPQZGEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01044213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.233

Distribution Coefficient, logD

3.232

Water Solubility, LogSw

-3.28

Polar Surface Area

92.153

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

-7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

3289-5678 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3289-5678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3289-5678?
Check Price and Availability of 3289-5678, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3289-5678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3289-5678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3289-5678
  • 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 3289-5678 available by request