D269-0980 Screening compound: N-{4-[4-(propan-2-yloxy)phenyl]-1,2,5-oxadiazol-3-yl}pentanamide

D269-0980 Screening compound: N-{4-[4-(propan-2-yloxy)phenyl]-1,2,5-oxadiazol-3-yl}pentanamide
D269-0980 Screening compound: N-{4-[4-(propan-2-yloxy)phenyl]-1,2,5-oxadiazol-3-yl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D269-0980
N-{4-[4-(propan-2-yloxy)phenyl]-1,2,5-oxadiazol-3-yl}pentanamide

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

D269-0980

Molecular Formula

C16H21N3O3 (C16 H21 N3 O3)

Compound Name

N-{4-[4-(propan-2-yloxy)phenyl]-1,2,5-oxadiazol-3-yl}pentanamide

IUPAC name

N-{4-[4-(propan-2-yloxy)phenyl]-125-oxadiazol-3-yl}pentanamide

SMILES

CCCCC(Nc1nonc1-c(cc1)ccc1OC(C)C)=O

InChI

InChI=1S/C16H21N3O3/c1-4-5-6-14(20)17-16-15(18-22-19-16)12-7-9-13(10-8-12)21-11(2)3/h7-11H,4-6H2,1-3H3,(H,17,19,20)

InChI Key

MQMINWNBHRXYAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08549300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.960

Distribution Coefficient, logD

3.954

Water Solubility, LogSw

-3.90

Polar Surface Area

66.947

Acid Dissociation Constant (pKa)

9.33

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

D269-0980 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D269-0980 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D269-0980?
Check Price and Availability of D269-0980, 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 D269-0980 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D269-0980
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D269-0980
  • 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 D269-0980 available by request