1688-0280 Screening compound: (1E,2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine

1688-0280 Screening compound: (1E,2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine
1688-0280 Screening compound: (1E,2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1688-0280
(1E,2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine

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

1688-0280

Molecular Formula

C23H15FN2O3 (C23 H15 FN2 O3)

Compound Name

(1E,2E)-3-(2H-1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]prop-2-en-1-imine

IUPAC name

(1E2E)-3-(2H-13-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)-13-benzoxazol-5-yl]prop-2-en-1-imine

SMILES

Fc(cc1)ccc1-c1nc(cc(cc2)/N=C/C=C/c(cc3)cc4c3OCO4)c2o1

InChI

InChI=1S/C23H15FN2O3/c24-17-6-4-16(5-7-17)23-26-19-13-18(8-10-20(19)29-23)25-11-1-2-15-3-9-21-22(12-15)28-14-27-21/h1-13H,14H2

InChI Key

IFHLYRHAVRNCRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01040314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.291

Distribution Coefficient, logD

5.291

Water Solubility, LogSw

-5.91

Polar Surface Area

42.923

Acid Dissociation Constant (pKa)

38.32

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

1688-0280 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1688-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1688-0280?
Check Price and Availability of 1688-0280, 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 1688-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1688-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1688-0280
  • 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 1688-0280 available by request