8006-9548 Screening compound: N~1~,N~3~-didibenzo[b,d]furan-3-ylisophthalamide

8006-9548 Screening compound: N~1~,N~3~-didibenzo[b,d]furan-3-ylisophthalamide
8006-9548 Screening compound: N~1~,N~3~-didibenzo[b,d]furan-3-ylisophthalamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9548
N~1~,N~3~-didibenzo[b,d]furan-3-ylisophthalamide

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

8006-9548

Molecular Formula

C32H20N2O4 (C32 H20 N2 O4)

Compound Name

N~1~,N~3~-didibenzo[b,d]furan-3-ylisophthalamide

IUPAC name

N1N3-bis({8-oxatricyclo[7.4.0.0^{27}]trideca-1(13)246911-hexaen-5-yl})benzene-13-dicarboxamide

SMILES

O=C(c1cccc(C(Nc(cc2)cc3c2c(cccc2)c2o3)=O)c1)Nc(cc1)cc2c1c(cccc1)c1o2

InChI

InChI=1S/C32H20N2O4/c35-31(33-21-12-14-25-23-8-1-3-10-27(23)37-29(25)17-21)19-6-5-7-20(16-19)32(36)34-22-13-15-26-24-9-2-4-11-28(24)38-30(26)18-22/h1-18H,(H,33,35)(H,34,36)

InChI Key

LPEHNDNWPTVBGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00754753

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.183

Distribution Coefficient, logD

8.183

Water Solubility, LogSw

-6.57

Polar Surface Area

62.250

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8006-9548 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8006-9548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9548?
Check Price and Availability of 8006-9548, 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 8006-9548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9548
  • 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 8006-9548 available by request