D487-0152 Screening compound: N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}cyclohexanecarboxamide

D487-0152 Screening compound: N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}cyclohexanecarboxamide
D487-0152 Screening compound: N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0152
N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}cyclohexanecarboxamide

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

D487-0152

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}cyclohexanecarboxamide

IUPAC name

N-{5-methyl-4-[3-oxo-4-(prop-2-en-1-yl)-34-dihydro-2H-14-benzoxazin-6-yl]-13-thiazol-2-yl}cyclohexanecarboxamide

SMILES

Cc1c(-c(cc2)cc(N3CC=C)c2OCC3=O)nc(NC(C2CCCCC2)=O)s1

InChI

InChI=1S/C22H25N3O3S/c1-3-11-25-17-12-16(9-10-18(17)28-13-19(25)26)20-14(2)29-22(23-20)24-21(27)15-7-5-4-6-8-15/h3,9-10,12,15H,1,4-8,11,13H2,2H3,(H,23,24,27)

InChI Key

CKENNPUOYQNZPY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

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

4.304

Distribution Coefficient, logD

4.303

Water Solubility, LogSw

-4.37

Polar Surface Area

58.147

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

D487-0152 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Epigenetics Focused Set (26518 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with D487-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0152?
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What is the minimum amount of D487-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0152
  • 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 D487-0152 available by request