C599-0111 Screening compound: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)cyclohexanecarboxamide

C599-0111 Screening compound: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)cyclohexanecarboxamide
C599-0111 Screening compound: N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0111
N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)cyclohexanecarboxamide

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

C599-0111

Molecular Formula

C19H25N3O2 (C19 H25 N3 O2)

Compound Name

N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-N-(propan-2-yl)cyclohexanecarboxamide

IUPAC name

N-[(3-phenyl-124-oxadiazol-5-yl)methyl]-N-(propan-2-yl)cyclohexanecarboxamide

SMILES

CC(C)N(Cc1nc(-c2ccccc2)no1)C(C1CCCCC1)=O

InChI

InChI=1S/C19H25N3O2/c1-14(2)22(19(23)16-11-7-4-8-12-16)13-17-20-18(21-24-17)15-9-5-3-6-10-15/h3,5-6,9-10,14,16H,4,7-8,11-13H2,1-2H3

InChI Key

ROWVRPIYRRNYFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05839153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.614

Distribution Coefficient, logD

4.614

Water Solubility, LogSw

-4.33

Polar Surface Area

47.728

Acid Dissociation Constant (pKa)

23.34

Base Dissociation Constant (pKb)

-3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

C599-0111 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C599-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0111?
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What is the minimum amount of C599-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0111
  • 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 C599-0111 available by request