D107-0571 Screening compound: (2E)-3-(furan-2-yl)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)prop-2-enamide

D107-0571 Screening compound: (2E)-3-(furan-2-yl)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)prop-2-enamide
D107-0571 Screening compound: (2E)-3-(furan-2-yl)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D107-0571
(2E)-3-(furan-2-yl)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-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

D107-0571

Molecular Formula

C14H14N2O3 (C14 H14 N2 O3)

Compound Name

(2E)-3-(furan-2-yl)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)prop-2-enamide

IUPAC name

(2E)-3-(furan-2-yl)-N-(4567-tetrahydro-21-benzoxazol-3-yl)prop-2-enamide

SMILES

O=C(/C=C/c1ccco1)Nc1c(CCCC2)c2no1

InChI

InChI=1S/C14H14N2O3/c17-13(8-7-10-4-3-9-18-10)15-14-11-5-1-2-6-12(11)16-19-14/h3-4,7-9H,1-2,5-6H2,(H,15,17)

InChI Key

WMFFYKHHFFLEME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550270

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.652

Distribution Coefficient, logD

2.637

Water Solubility, LogSw

-2.92

Polar Surface Area

54.374

Acid Dissociation Constant (pKa)

8.84

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D107-0571 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with D107-0571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D107-0571?
Check Price and Availability of D107-0571, 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 D107-0571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D107-0571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D107-0571
  • 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 D107-0571 available by request