C301-2730 Screening compound: 5-[(2-chloro-4-fluorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide

C301-2730 Screening compound: 5-[(2-chloro-4-fluorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide
C301-2730 Screening compound: 5-[(2-chloro-4-fluorophenyl)methyl]-N-(3-methylbutyl)-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-2730
5-[(2-chloro-4-fluorophenyl)methyl]-N-(3-methylbutyl)-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

C301-2730

Molecular Formula

C15H17ClFN3O2 (C15 H17 ClFN3 O2)

Compound Name

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

IUPAC name

5-[(2-chloro-4-fluorophenyl)methyl]-N-(3-methylbutyl)-134-oxadiazole-2-carboxamide

SMILES

CC(C)CCNC(c1nnc(Cc(ccc(F)c2)c2Cl)o1)=O

InChI

InChI=1S/C15H17ClFN3O2/c1-9(2)5-6-18-14(21)15-20-19-13(22-15)7-10-3-4-11(17)8-12(10)16/h3-4,8-9H,5-7H2,1-2H3,(H,18,21)

InChI Key

ZANWNHKVPRVXRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14742754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.77

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.389

Distribution Coefficient, logD

3.389

Water Solubility, LogSw

-3.77

Polar Surface Area

54.946

Acid Dissociation Constant (pKa)

12.89

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C301-2730 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C301-2730 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-2730?
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What is the minimum amount of C301-2730 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-2730
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-2730
  • 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 C301-2730 available by request