8016-9555 Screening compound: N~5~-(tetrahydro-2-furanylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide

8016-9555 Screening compound: N~5~-(tetrahydro-2-furanylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
8016-9555 Screening compound: N~5~-(tetrahydro-2-furanylmethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9555
N~5~-(tetrahydro-2-furanylmethyl)-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

8016-9555

Molecular Formula

C15H14F3N3O3 (C15 H14 F3 N3 O3)

Compound Name

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

IUPAC name

N-[(oxolan-2-yl)methyl]-3-[4-(trifluoromethyl)phenyl]-124-oxadiazole-5-carboxamide

SMILES

O=C(c1nc(-c2ccc(C(F)(F)F)cc2)no1)NCC1OCCC1

InChI

InChI=1S/C15H14F3N3O3/c16-15(17,18)10-5-3-9(4-6-10)12-20-14(24-21-12)13(22)19-8-11-2-1-7-23-11/h3-6,11H,1-2,7-8H2,(H,19,22)/t11-/m1/s1

InChI Key

KRNXOOSGEHCJNG-LLVKDONJSA-N

MDL Number (MFCD)

MFCD05860560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.681

Distribution Coefficient, logD

2.681

Water Solubility, LogSw

-3.06

Polar Surface Area

64.983

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

8016-9555 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-9555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9555?
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What is the minimum amount of 8016-9555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9555
  • 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 8016-9555 available by request