D487-0088 Screening compound: N-[4-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide

D487-0088 Screening compound: N-[4-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide
D487-0088 Screening compound: N-[4-(2,4-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0088
N-[4-(2,4-dimethyl-3-oxo-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

D487-0088

Molecular Formula

C17H17N3O3S (C17 H17 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]cyclopropanecarboxamide

IUPAC name

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

SMILES

CC1Oc(ccc(-c2csc(NC(C3CC3)=O)n2)c2)c2N(C)C1=O

InChI

InChI=1S/C17H17N3O3S/c1-9-16(22)20(2)13-7-11(5-6-14(13)23-9)12-8-24-17(18-12)19-15(21)10-3-4-10/h5-10H,3-4H2,1-2H3,(H,18,19,21)/t9-/m1/s1

InChI Key

QYACUOPPJXUPDB-SECBINFHSA-N

MDL Number (MFCD)

MFCD10090212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.026

Distribution Coefficient, logD

3.026

Water Solubility, LogSw

-3.46

Polar Surface Area

56.498

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

-0.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D487-0088 in Drug Discovery

Included in Screening Libraries

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

Angiogenesis library (14822 compounds)

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

SmartTM Library (51161 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Anti-HIV1 Library (19540 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D487-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0088?
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What is the minimum amount of D487-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0088
  • 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 D487-0088 available by request