8018-7203 Screening compound: N~1~-(11H-dibenzo[b,e][1,4]dioxepin-2-yl)-1-naphthamide

8018-7203 Screening compound: N~1~-(11H-dibenzo[b,e][1,4]dioxepin-2-yl)-1-naphthamide
8018-7203 Screening compound: N~1~-(11H-dibenzo[b,e][1,4]dioxepin-2-yl)-1-naphthamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7203
N~1~-(11H-dibenzo[b,e][1,4]dioxepin-2-yl)-1-naphthamide

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

8018-7203

Molecular Formula

C24H17NO3 (C24 H17 NO3)

Compound Name

N~1~-(11H-dibenzo[b,e][1,4]dioxepin-2-yl)-1-naphthamide

IUPAC name

N-{29-dioxatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaen-13-yl}naphthalene-1-carboxamide

SMILES

O=C(c1cccc2ccccc12)Nc(cc1)cc2c1Oc(cccc1)c1OC2

InChI

InChI=1S/C24H17NO3/c26-24(20-9-5-7-16-6-1-2-8-19(16)20)25-18-12-13-21-17(14-18)15-27-22-10-3-4-11-23(22)28-21/h1-14H,15H2,(H,25,26)

InChI Key

DQXJRWOCLXPAMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.144

Distribution Coefficient, logD

5.144

Water Solubility, LogSw

-6.37

Polar Surface Area

38.652

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.17

8018-7203 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 8018-7203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7203?
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What is the minimum amount of 8018-7203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7203
  • 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 8018-7203 available by request