D619-0413 Screening compound: 2-{2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-1-(pyrrolidin-1-yl)ethan-1-one

D619-0413 Screening compound: 2-{2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-1-(pyrrolidin-1-yl)ethan-1-one
D619-0413 Screening compound: 2-{2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy}-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D619-0413
2-{2-[5-(4-methoxyphenyl)-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

D619-0413

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1-c1nc(-c(cccc2)c2OCC(N2CCCC2)=O)no1

InChI

InChI=1S/C21H21N3O4/c1-26-16-10-8-15(9-11-16)21-22-20(23-28-21)17-6-2-3-7-18(17)27-14-19(25)24-12-4-5-13-24/h2-3,6-11H,4-5,12-14H2,1H3

InChI Key

YEGVITNONCBXPL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.437

Distribution Coefficient, logD

3.437

Water Solubility, LogSw

-3.70

Polar Surface Area

63.261

Acid Dissociation Constant (pKa)

24.32

Base Dissociation Constant (pKb)

-1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D619-0413 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D619-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D619-0413?
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What is the minimum amount of D619-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D619-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D619-0413
  • 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 D619-0413 available by request