S553-0499 Screening compound: 1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

S553-0499 Screening compound: 1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
S553-0499 Screening compound: 1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound S553-0499
1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

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

S553-0499

Molecular Formula

C10H11N3O (C10 H11 N3 O)

Compound Name

1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

IUPAC name

1-[3-(4-methylphenyl)-124-oxadiazol-5-yl]methanamine

SMILES

Cc(cc1)ccc1-c1noc(CN)n1

InChI

InChI=1S/C10H11N3O/c1-7-2-4-8(5-3-7)10-12-9(6-11)14-13-10/h2-5H,6,11H2,1H3

InChI Key

XDCYNMWXLOAGSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07087661

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

189.22

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.542

Distribution Coefficient, logD

1.516

Water Solubility, LogSw

-1.70

Polar Surface Area

53.242

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

S553-0499 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with S553-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S553-0499?
Check Price and Availability of S553-0499, 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 S553-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S553-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S553-0499
  • 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 S553-0499 available by request