D705-0053 Screening compound: 2-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(tetrahydro-2-furanylmethyl)acetamide

D705-0053 Screening compound: 2-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(tetrahydro-2-furanylmethyl)acetamide
D705-0053 Screening compound: 2-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(tetrahydro-2-furanylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D705-0053
2-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(tetrahydro-2-furanylmethyl)acetamide

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

D705-0053

Molecular Formula

C18H23N3O4 (C18 H23 N3 O4)

Compound Name

2-[4-(3-isopropyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(tetrahydro-2-furanylmethyl)acetamide

IUPAC name

N-[(oxolan-2-yl)methyl]-2-{4-[3-(propan-2-yl)-124-oxadiazol-5-yl]phenoxy}acetamide

SMILES

CC(C)c1noc(-c(cc2)ccc2OCC(NCC2OCCC2)=O)n1

InChI

InChI=1S/C18H23N3O4/c1-12(2)17-20-18(25-21-17)13-5-7-14(8-6-13)24-11-16(22)19-10-15-4-3-9-23-15/h5-8,12,15H,3-4,9-11H2,1-2H3,(H,19,22)/t15-/m1/s1

InChI Key

YEVBCBAIZVVENQ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD11705156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.154

Distribution Coefficient, logD

2.154

Water Solubility, LogSw

-2.57

Polar Surface Area

72.269

Acid Dissociation Constant (pKa)

14.34

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

D705-0053 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D705-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D705-0053?
Check Price and Availability of D705-0053, 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 D705-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D705-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D705-0053
  • 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 D705-0053 available by request