8015-9357 Screening compound: N~1~-(6-methoxy-3-nitrodibenzo[b,f]oxepin-1-yl)-N~1~-methylacetamide

8015-9357 Screening compound: N~1~-(6-methoxy-3-nitrodibenzo[b,f]oxepin-1-yl)-N~1~-methylacetamide
8015-9357 Screening compound: N~1~-(6-methoxy-3-nitrodibenzo[b,f]oxepin-1-yl)-N~1~-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-9357
N~1~-(6-methoxy-3-nitrodibenzo[b,f]oxepin-1-yl)-N~1~-methylacetamide

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

8015-9357

Molecular Formula

C18H16N2O5 (C18 H16 N2 O5)

Compound Name

N~1~-(6-methoxy-3-nitrodibenzo[b,f]oxepin-1-yl)-N~1~-methylacetamide

IUPAC name

N-{15-methoxy-5-nitro-2-oxatricyclo[9.4.0.0^{38}]pentadeca-1(15)35791113-heptaen-7-yl}-N-methylacetamide

SMILES

CC(N(C)c1cc([N+]([O-])=O)cc2c1C=Cc1cccc(OC)c1O2)=O

InChI

InChI=1S/C18H16N2O5/c1-11(21)19(2)15-9-13(20(22)23)10-17-14(15)8-7-12-5-4-6-16(24-3)18(12)25-17/h4-10H,1-3H3

InChI Key

CCYRDIKHHMMVPJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.852

Distribution Coefficient, logD

2.852

Water Solubility, LogSw

-3.48

Polar Surface Area

63.887

Acid Dissociation Constant (pKa)

22.47

Base Dissociation Constant (pKb)

-7.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8015-9357 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-9357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-9357?
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What is the minimum amount of 8015-9357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-9357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-9357
  • 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 8015-9357 available by request