C301-3016 Screening compound: 5-[(2-chloro-6-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

C301-3016 Screening compound: 5-[(2-chloro-6-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide
C301-3016 Screening compound: 5-[(2-chloro-6-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3016
5-[(2-chloro-6-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-1,3,4-oxadiazole-2-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

C301-3016

Molecular Formula

C15H11ClFN3O3 (C15 H11 ClFN3 O3)

Compound Name

5-[(2-chloro-6-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-1,3,4-oxadiazole-2-carboxamide

IUPAC name

5-[(2-chloro-6-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-134-oxadiazole-2-carboxamide

SMILES

O=C(c1nnc(Cc(c(F)ccc2)c2Cl)o1)NCc1ccco1

InChI

InChI=1S/C15H11ClFN3O3/c16-11-4-1-5-12(17)10(11)7-13-19-20-15(23-13)14(21)18-8-9-3-2-6-22-9/h1-6H,7-8H2,(H,18,21)

InChI Key

IFDDLPORFVYJOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09696646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.72

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

2.821

Distribution Coefficient, logD

2.821

Water Solubility, LogSw

-3.50

Polar Surface Area

62.582

Acid Dissociation Constant (pKa)

11.52

Base Dissociation Constant (pKb)

-3.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

C301-3016 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with C301-3016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3016?
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What is the minimum amount of C301-3016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3016
  • 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 C301-3016 available by request