T813-0125 Screening compound: N-benzyl-N-methyl(5-phenyl-4-isoxazolyl)methanamine

T813-0125 Screening compound: N-benzyl-N-methyl(5-phenyl-4-isoxazolyl)methanamine
T813-0125 Screening compound: N-benzyl-N-methyl(5-phenyl-4-isoxazolyl)methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound T813-0125
N-benzyl-N-methyl(5-phenyl-4-isoxazolyl)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

T813-0125

Molecular Formula

C18H18N2O (C18 H18 N2 O)

Compound Name

N-benzyl-N-methyl(5-phenyl-4-isoxazolyl)methanamine

IUPAC name

n/a

SMILES

CN(Cc1c(-c2ccccc2)onc1)Cc1ccccc1

InChI

InChI=1S/C18H18N2O/c1-20(13-15-8-4-2-5-9-15)14-17-12-19-21-18(17)16-10-6-3-7-11-16/h2-12H,13-14H2,1H3

InChI Key

IQWGEXZUEUTYAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27623698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.459

Distribution Coefficient, logD

2.342

Water Solubility, LogSw

-3.28

Polar Surface Area

26.274

Acid Dissociation Constant (pKa)

22.87

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

T813-0125 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T813-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T813-0125?
Check Price and Availability of T813-0125, 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 T813-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T813-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T813-0125
  • 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 T813-0125 available by request