8014-8933 Screening compound: 5-acetyl-5H-dibenzo[2,3:5,6][1,4]oxazocino[7,8-b]quinoxaline-7,8-dicarbonitrile

8014-8933 Screening compound: 5-acetyl-5H-dibenzo[2,3:5,6][1,4]oxazocino[7,8-b]quinoxaline-7,8-dicarbonitrile
8014-8933 Screening compound: 5-acetyl-5H-dibenzo[2,3:5,6][1,4]oxazocino[7,8-b]quinoxaline-7,8-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8933
5-acetyl-5H-dibenzo[2,3:5,6][1,4]oxazocino[7,8-b]quinoxaline-7,8-dicarbonitrile

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

8014-8933

Molecular Formula

C24H13N5O2 (C24 H13 N5 O2)

Compound Name

5-acetyl-5H-dibenzo[2,3:5,6][1,4]oxazocino[7,8-b]quinoxaline-7,8-dicarbonitrile

IUPAC name

8-acetyl-15-oxa-81724-triazapentacyclo[14.8.0.0^{27}.0^{914}.0^{1823}]tetracosa-1(24)246911131618(23)1921-undecaene-1112-dicarbonitrile

SMILES

CC(N1c(cc(c(C#N)c2)C#N)c2Oc2nc3ccccc3nc2-c2c1cccc2)=O

InChI

InChI=1S/C24H13N5O2/c1-14(30)29-20-9-5-2-6-17(20)23-24(28-19-8-4-3-7-18(19)27-23)31-22-11-16(13-26)15(12-25)10-21(22)29/h2-11H,1H3

InChI Key

LDZSKBQHHJHCMH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03820720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.020

Distribution Coefficient, logD

4.020

Water Solubility, LogSw

-4.24

Polar Surface Area

73.480

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.17

8014-8933 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-8933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8933?
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What is the minimum amount of 8014-8933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8933
  • 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 8014-8933 available by request