8006-8349 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-dibenzo[b,d]furan-3-yl-1,3-dioxo-5-isoindolinecarboxylate

8006-8349 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-dibenzo[b,d]furan-3-yl-1,3-dioxo-5-isoindolinecarboxylate
8006-8349 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 2-dibenzo[b,d]furan-3-yl-1,3-dioxo-5-isoindolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8349
2-(4-bromophenyl)-2-oxoethyl 2-dibenzo[b,d]furan-3-yl-1,3-dioxo-5-isoindolinecarboxylate

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

8006-8349

Molecular Formula

C29H16BrNO6 (C29 H16 BrNO6)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 2-dibenzo[b,d]furan-3-yl-1,3-dioxo-5-isoindolinecarboxylate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 2-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)35911-hexaen-5-yl}-13-dioxo-23-dihydro-1H-isoindole-5-carboxylate

SMILES

O=C(COC(c(cc1)cc(C(N2c(cc3)cc4c3c(cccc3)c3o4)=O)c1C2=O)=O)c(cc1)ccc1Br

InChI

InChI=1S/C29H16BrNO6/c30-18-8-5-16(6-9-18)24(32)15-36-29(35)17-7-11-22-23(13-17)28(34)31(27(22)33)19-10-12-21-20-3-1-2-4-25(20)37-26(21)14-19/h1-14H,15H2

InChI Key

ZFKVKHUQLQRHOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00502616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.925

Distribution Coefficient, logD

6.925

Water Solubility, LogSw

-6.38

Polar Surface Area

70.899

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

-7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.40

8006-8349 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8006-8349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8349?
Check Price and Availability of 8006-8349, 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 8006-8349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8349
  • 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 8006-8349 available by request