D487-0136 Screening compound: (2E)-3-(4-ethoxy-3-methoxyphenyl)-N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}prop-2-enamide

D487-0136 Screening compound: (2E)-3-(4-ethoxy-3-methoxyphenyl)-N-{4-[3-oxo-4-(prop-2-en-1-yl)-3,4-dihydro-2H-1,4-benzoxazin-6-yl]-1,3-thiazol-2-yl}prop-2-enamide
D487-0136 Screening compound: (2E)-3-(4-ethoxy-3-methoxyphenyl)-N-{4-[3-oxo-4-(prop-2-en-1-yl)-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 D487-0136
(2E)-3-(4-ethoxy-3-methoxyphenyl)-N-{4-[3-oxo-4-(prop-2-en-1-yl)-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

D487-0136

Molecular Formula

C26H25N3O5S (C26 H25 N3 O5 S)

Compound Name

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

SMILES

CCOc(ccc(/C=C/C(Nc1nc(-c(cc2)cc(N3CC=C)c2OCC3=O)cs1)=O)c1)c1OC

InChI

InChI=1S/C26H25N3O5S/c1-4-12-29-20-14-18(8-10-21(20)34-15-25(29)31)19-16-35-26(27-19)28-24(30)11-7-17-6-9-22(33-5-2)23(13-17)32-3/h4,6-11,13-14,16H,1,5,12,15H2,2-3H3,(H,27,28,30)

InChI Key

QGZSOEDSEHMUQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10059679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.825

Distribution Coefficient, logD

4.825

Water Solubility, LogSw

-4.61

Polar Surface Area

71.811

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

D487-0136 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

KRAS-Targeted Library (16000 compounds)

SmartTM Library (51161 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D487-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D487-0136?
Check Price and Availability of D487-0136, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D487-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D487-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D487-0136
  • 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 D487-0136 available by request