D487-0106 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}benzamide

D487-0106 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}benzamide
D487-0106 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}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0106
N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}benzamide

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

D487-0106

Molecular Formula

C21H17N3O3S (C21 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}benzamide

IUPAC name

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

SMILES

C=CCN1c(cc(cc2)-c3csc(NC(c4ccccc4)=O)n3)c2OCC1=O

InChI

InChI=1S/C21H17N3O3S/c1-2-10-24-17-11-15(8-9-18(17)27-12-19(24)25)16-13-28-21(22-16)23-20(26)14-6-4-3-5-7-14/h2-9,11,13H,1,10,12H2,(H,22,23,26)

InChI Key

XWHCDVFPVXGQTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10090223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

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

3.912

Distribution Coefficient, logD

3.912

Water Solubility, LogSw

-4.22

Polar Surface Area

57.184

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D487-0106 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D487-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0106?
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What is the minimum amount of D487-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0106
  • 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 D487-0106 available by request