C599-0657 Screening compound: {[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}(propan-2-yl)amine

C599-0657 Screening compound: {[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}(propan-2-yl)amine
C599-0657 Screening compound: {[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}(propan-2-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C599-0657
{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}(propan-2-yl)amine

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

C599-0657

Molecular Formula

C13H17N3O (C13 H17 N3 O)

Compound Name

{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}(propan-2-yl)amine

IUPAC name

{[3-(3-methylphenyl)-124-oxadiazol-5-yl]methyl}(propan-2-yl)amine

SMILES

CC(C)NCc1nc(-c2cc(C)ccc2)no1

InChI

InChI=1S/C13H17N3O/c1-9(2)14-8-12-15-13(16-17-12)11-6-4-5-10(3)7-11/h4-7,9,14H,8H2,1-3H3

InChI Key

BZOQGDUPZCXDOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05790341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

231.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.959

Distribution Coefficient, logD

2.789

Water Solubility, LogSw

-3.13

Polar Surface Area

42.384

Acid Dissociation Constant (pKa)

23.82

Base Dissociation Constant (pKb)

7.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

C599-0657 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C599-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C599-0657?
Check Price and Availability of C599-0657, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C599-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C599-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C599-0657
  • 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 C599-0657 available by request