C301-2346 Screening compound: 5-[(4-fluorophenyl)methyl]-N-(propan-2-yl)-1,3,4-oxadiazole-2-carboxamide

C301-2346 Screening compound: 5-[(4-fluorophenyl)methyl]-N-(propan-2-yl)-1,3,4-oxadiazole-2-carboxamide
C301-2346 Screening compound: 5-[(4-fluorophenyl)methyl]-N-(propan-2-yl)-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-2346
5-[(4-fluorophenyl)methyl]-N-(propan-2-yl)-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

C301-2346

Molecular Formula

C13H14FN3O2 (C13 H14 FN3 O2)

Compound Name

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

IUPAC name

5-[(4-fluorophenyl)methyl]-N-(propan-2-yl)-134-oxadiazole-2-carboxamide

SMILES

CC(C)NC(c1nnc(Cc(cc2)ccc2F)o1)=O

InChI

InChI=1S/C13H14FN3O2/c1-8(2)15-12(18)13-17-16-11(19-13)7-9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3,(H,15,18)

InChI Key

IOOZIOHIVJIUOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14742523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.595

Distribution Coefficient, logD

1.595

Water Solubility, LogSw

-2.05

Polar Surface Area

54.079

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C301-2346 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

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 C301-2346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-2346?
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What is the minimum amount of C301-2346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-2346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-2346
  • 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 C301-2346 available by request