D349-1559 Screening compound: 2-{2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-cyclopentylacetamide

D349-1559 Screening compound: 2-{2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-cyclopentylacetamide
D349-1559 Screening compound: 2-{2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-1559
2-{2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-cyclopentylacetamide

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

D349-1559

Molecular Formula

C21H20ClN3O3 (C21 H20 ClN3 O3)

Compound Name

2-{2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenoxy}-N-cyclopentylacetamide

IUPAC name

2-{2-[3-(2-chlorophenyl)-124-oxadiazol-5-yl]phenoxy}-N-cyclopentylacetamide

SMILES

O=C(COc(cccc1)c1-c1nc(-c(cccc2)c2Cl)no1)NC1CCCC1

InChI

InChI=1S/C21H20ClN3O3/c22-17-11-5-3-9-15(17)20-24-21(28-25-20)16-10-4-6-12-18(16)27-13-19(26)23-14-7-1-2-8-14/h3-6,9-12,14H,1-2,7-8,13H2,(H,23,26)

InChI Key

SALKMSLGWFTHNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27580620

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.86

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.551

Distribution Coefficient, logD

4.551

Water Solubility, LogSw

-4.64

Polar Surface Area

63.521

Acid Dissociation Constant (pKa)

16.38

Base Dissociation Constant (pKb)

1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D349-1559 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D349-1559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-1559?
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What is the minimum amount of D349-1559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-1559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-1559
  • 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 D349-1559 available by request