D487-0090 Screening compound: N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}acetamide

D487-0090 Screening compound: N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}acetamide
D487-0090 Screening compound: N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0090
N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-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

D487-0090

Molecular Formula

C16H15N3O3S (C16 H15 N3 O3 S)

Compound Name

N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}acetamide

IUPAC name

N-{4-[3-oxo-4-(prop-2-en-1-yl)-34-dihydro-2H-14-benzoxazin-6-yl]-13-thiazol-2-yl}acetamide

SMILES

CC(Nc1nc(-c(cc2)cc(N3CC=C)c2OCC3=O)cs1)=O

InChI

InChI=1S/C16H15N3O3S/c1-3-6-19-13-7-11(4-5-14(13)22-8-15(19)21)12-9-23-16(18-12)17-10(2)20/h3-5,7,9H,1,6,8H2,2H3,(H,17,18,20)

InChI Key

WQPOAHXKIOMQJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.504

Distribution Coefficient, logD

2.504

Water Solubility, LogSw

-2.97

Polar Surface Area

57.355

Acid Dissociation Constant (pKa)

12.00

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D487-0090 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D487-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0090?
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What is the minimum amount of D487-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0090
  • 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 D487-0090 available by request