D487-0099 Screening compound: 3-methyl-N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}butanamide

D487-0099 Screening compound: 3-methyl-N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}butanamide
D487-0099 Screening compound: 3-methyl-N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0099
3-methyl-N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}butanamide

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

D487-0099

Molecular Formula

C19H21N3O3S (C19 H21 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C19H21N3O3S/c1-4-7-22-15-9-13(5-6-16(15)25-10-18(22)24)14-11-26-19(20-14)21-17(23)8-12(2)3/h4-6,9,11-12H,1,7-8,10H2,2-3H3,(H,20,21,23)

InChI Key

ICTIGIRJZZGQLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090220

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.716

Distribution Coefficient, logD

3.716

Water Solubility, LogSw

-4.11

Polar Surface Area

57.242

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

D487-0099 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)

Included in 1.7M Stock Database

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 D487-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0099?
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What is the minimum amount of D487-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0099
  • 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 D487-0099 available by request