D050-0149 Screening compound: (2E)-N-(1,2-benzoxazol-3-yl)-3-[4-(propan-2-yloxy)phenyl]prop-2-enamide

D050-0149 Screening compound: (2E)-N-(1,2-benzoxazol-3-yl)-3-[4-(propan-2-yloxy)phenyl]prop-2-enamide
D050-0149 Screening compound: (2E)-N-(1,2-benzoxazol-3-yl)-3-[4-(propan-2-yloxy)phenyl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D050-0149
(2E)-N-(1,2-benzoxazol-3-yl)-3-[4-(propan-2-yloxy)phenyl]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

D050-0149

Molecular Formula

C19H18N2O3 (C19 H18 N2 O3)

Compound Name

(2E)-N-(1,2-benzoxazol-3-yl)-3-[4-(propan-2-yloxy)phenyl]prop-2-enamide

IUPAC name

(2E)-N-(12-benzoxazol-3-yl)-3-[4-(propan-2-yloxy)phenyl]prop-2-enamide

SMILES

CC(C)Oc1ccc(/C=C/C(Nc2noc3c2cccc3)=O)cc1

InChI

InChI=1S/C19H18N2O3/c1-13(2)23-15-10-7-14(8-11-15)9-12-18(22)20-19-16-5-3-4-6-17(16)24-21-19/h3-13H,1-2H3,(H,20,21,22)

InChI Key

KXYFXSBHZHVNSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08362466

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.627

Distribution Coefficient, logD

4.625

Water Solubility, LogSw

-4.35

Polar Surface Area

51.987

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D050-0149 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D050-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D050-0149?
Check Price and Availability of D050-0149, 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 D050-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D050-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D050-0149
  • 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 D050-0149 available by request