D374-0149 Screening compound: 2-(naphthalen-1-yl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetamide

D374-0149 Screening compound: 2-(naphthalen-1-yl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetamide
D374-0149 Screening compound: 2-(naphthalen-1-yl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D374-0149
2-(naphthalen-1-yl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetamide

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

D374-0149

Molecular Formula

C20H16N2O3 (C20 H16 N2 O3)

Compound Name

2-(naphthalen-1-yl)-N-(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)acetamide

IUPAC name

2-(naphthalen-1-yl)-N-(3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)acetamide

SMILES

O=C(Cc1cccc2ccccc12)Nc(cc1)cc(N2)c1OCC2=O

InChI

InChI=1S/C20H16N2O3/c23-19(10-14-6-3-5-13-4-1-2-7-16(13)14)21-15-8-9-18-17(11-15)22-20(24)12-25-18/h1-9,11H,10,12H2,(H,21,23)(H,22,24)

InChI Key

BYVLJBLDOKBWIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11720696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.076

Distribution Coefficient, logD

3.076

Water Solubility, LogSw

-3.44

Polar Surface Area

56.115

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

1.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D374-0149 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 D374-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D374-0149?
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What is the minimum amount of D374-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D374-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D374-0149
  • 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 D374-0149 available by request