D487-0089 Screening compound: N-[4-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pentanamide

D487-0089 Screening compound: N-[4-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pentanamide
D487-0089 Screening compound: N-[4-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0089
N-[4-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pentanamide

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

D487-0089

Molecular Formula

C18H21N3O3S (C18 H21 N3 O3 S)

Compound Name

N-[4-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]pentanamide

IUPAC name

N-[4-(24-dimethyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-13-thiazol-2-yl]pentanamide

SMILES

CCCCC(Nc1nc(-c(cc2)cc(N3C)c2OC(C)C3=O)cs1)=O

InChI

InChI=1S/C18H21N3O3S/c1-4-5-6-16(22)20-18-19-13(10-25-18)12-7-8-15-14(9-12)21(3)17(23)11(2)24-15/h7-11H,4-6H2,1-3H3,(H,19,20,22)/t11-/m1/s1

InChI Key

PZIXJUDZZLSAAT-LLVKDONJSA-N

MDL Number (MFCD)

MFCD10090213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.45

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

3.354

Distribution Coefficient, logD

3.354

Water Solubility, LogSw

-3.78

Polar Surface Area

56.033

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

D487-0089 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous 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 D487-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0089?
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What is the minimum amount of D487-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0089
  • 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 D487-0089 available by request