D619-0436 Screening compound: 2-(2-{5-[(1E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl}phenoxy)-1-(pyrrolidin-1-yl)ethan-1-one

D619-0436 Screening compound: 2-(2-{5-[(1E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl}phenoxy)-1-(pyrrolidin-1-yl)ethan-1-one
D619-0436 Screening compound: 2-(2-{5-[(1E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl}phenoxy)-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D619-0436
2-(2-{5-[(1E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl}phenoxy)-1-(pyrrolidin-1-yl)ethan-1-one

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

D619-0436

Molecular Formula

C22H20FN3O3 (C22 H20 FN3 O3)

Compound Name

2-(2-{5-[(1E)-2-(4-fluorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl}phenoxy)-1-(pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-(2-{5-[(1E)-2-(4-fluorophenyl)ethenyl]-124-oxadiazol-3-yl}phenoxy)-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

O=C(COc(cccc1)c1-c1noc(/C=C/c(cc2)ccc2F)n1)N1CCCC1

InChI

InChI=1S/C22H20FN3O3/c23-17-10-7-16(8-11-17)9-12-20-24-22(25-29-20)18-5-1-2-6-19(18)28-15-21(27)26-13-3-4-14-26/h1-2,5-12H,3-4,13-15H2

InChI Key

URTKUZZJOWIKRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18172573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-4.44

Polar Surface Area

55.383

Acid Dissociation Constant (pKa)

24.32

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

D619-0436 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D619-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D619-0436?
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What is the minimum amount of D619-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D619-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D619-0436
  • 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 D619-0436 available by request