8017-5218 Screening compound: N~5~-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide

8017-5218 Screening compound: N~5~-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
8017-5218 Screening compound: N~5~-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5218
N~5~-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide

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

8017-5218

Molecular Formula

C16H19F3N4O2 (C16 H19 F3 N4 O2)

Compound Name

N~5~-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-[2-(diethylamino)ethyl]-3-[4-(trifluoromethyl)phenyl]-124-oxadiazole-5-carboxamide

SMILES

CCN(CC)CCNC(c1nc(-c2ccc(C(F)(F)F)cc2)no1)=O

InChI

InChI=1S/C16H19F3N4O2/c1-3-23(4-2)10-9-20-14(24)15-21-13(22-25-15)11-5-7-12(8-6-11)16(17,18)19/h5-8H,3-4,9-10H2,1-2H3,(H,20,24)

InChI Key

VNZFNOXBSXJDFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06017575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.347

Distribution Coefficient, logD

1.601

Water Solubility, LogSw

-3.37

Polar Surface Area

59.853

Acid Dissociation Constant (pKa)

12.62

Base Dissociation Constant (pKb)

9.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

8017-5218 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with 8017-5218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5218?
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What is the minimum amount of 8017-5218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5218
  • 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 8017-5218 available by request