8008-5463 Screening compound: 6-[3-(1,3-benzoxazol-2-yl)phenyl]-5H-dibenzo[c,e]azepine-5,7(6H)-dione

8008-5463 Screening compound: 6-[3-(1,3-benzoxazol-2-yl)phenyl]-5H-dibenzo[c,e]azepine-5,7(6H)-dione
8008-5463 Screening compound: 6-[3-(1,3-benzoxazol-2-yl)phenyl]-5H-dibenzo[c,e]azepine-5,7(6H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-5463
6-[3-(1,3-benzoxazol-2-yl)phenyl]-5H-dibenzo[c,e]azepine-5,7(6H)-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

8008-5463

Molecular Formula

C27H16N2O3 (C27 H16 N2 O3)

Compound Name

6-[3-(1,3-benzoxazol-2-yl)phenyl]-5H-dibenzo[c,e]azepine-5,7(6H)-dione

IUPAC name

9-[3-(13-benzoxazol-2-yl)phenyl]-9-azatricyclo[9.4.0.0^{27}]pentadeca-1(11)2461214-hexaene-810-dione

SMILES

O=C(c(cccc1)c1-c1c2cccc1)N(c1cc(-c3nc(cccc4)c4o3)ccc1)C2=O

InChI

InChI=1S/C27H16N2O3/c30-26-21-12-3-1-10-19(21)20-11-2-4-13-22(20)27(31)29(26)18-9-7-8-17(16-18)25-28-23-14-5-6-15-24(23)32-25/h1-16H

InChI Key

XHNRYGFWWNJSGS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01159501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.419

Distribution Coefficient, logD

4.419

Water Solubility, LogSw

-5.27

Polar Surface Area

45.384

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8008-5463 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 8008-5463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-5463?
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What is the minimum amount of 8008-5463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-5463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-5463
  • 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 8008-5463 available by request