D487-0140 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}cyclopropanecarboxamide

D487-0140 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}cyclopropanecarboxamide
D487-0140 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}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0140
N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}cyclopropanecarboxamide

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

D487-0140

Molecular Formula

C18H17N3O3S (C18 H17 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}cyclopropanecarboxamide

IUPAC name

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

SMILES

C=CCN1c(cc(cc2)-c3csc(NC(C4CC4)=O)n3)c2OCC1=O

InChI

InChI=1S/C18H17N3O3S/c1-2-7-21-14-8-12(5-6-15(14)24-9-16(21)22)13-10-25-18(19-13)20-17(23)11-3-4-11/h2,5-6,8,10-11H,1,3-4,7,9H2,(H,19,20,23)

InChI Key

GGYPHOURTZTLKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.279

Distribution Coefficient, logD

3.279

Water Solubility, LogSw

-3.55

Polar Surface Area

57.707

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D487-0140 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D487-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0140?
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What is the minimum amount of D487-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0140
  • 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 D487-0140 available by request