D487-0069 Screening compound: (2E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]prop-2-enamide

D487-0069 Screening compound: (2E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]prop-2-enamide
D487-0069 Screening compound: (2E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D487-0069
(2E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]prop-2-enamide

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

D487-0069

Molecular Formula

C24H23N3O5S (C24 H23 N3 O5 S)

Compound Name

(2E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-1,3-thiazol-2-yl]prop-2-enamide

IUPAC name

(2E)-3-(4-ethoxy-3-methoxyphenyl)-N-[4-(2-methyl-3-oxo-34-dihydro-2H-14-benzoxazin-6-yl)-13-thiazol-2-yl]prop-2-enamide

SMILES

CCOc(ccc(/C=C/C(Nc1nc(-c(cc2)cc(N3)c2OC(C)C3=O)cs1)=O)c1)c1OC

InChI

InChI=1S/C24H23N3O5S/c1-4-31-20-8-5-15(11-21(20)30-3)6-10-22(28)27-24-26-18(13-33-24)16-7-9-19-17(12-16)25-23(29)14(2)32-19/h5-14H,4H2,1-3H3,(H,25,29)(H,26,27,28)/t14-/m1/s1

InChI Key

FMGAEWCQHXYYQY-CQSZACIVSA-N

MDL Number (MFCD)

MFCD10090204

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.875

Distribution Coefficient, logD

4.875

Water Solubility, LogSw

-4.57

Polar Surface Area

80.340

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.80

D487-0069 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

SmartTM Library (51161 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D487-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0069?
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What is the minimum amount of D487-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0069
  • 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 D487-0069 available by request