8018-7115 Screening compound: 4-[4-(aminomethyl)-3-isoxazolyl]phenol

8018-7115 Screening compound: 4-[4-(aminomethyl)-3-isoxazolyl]phenol
8018-7115 Screening compound: 4-[4-(aminomethyl)-3-isoxazolyl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-7115
4-[4-(aminomethyl)-3-isoxazolyl]phenol

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

8018-7115

Molecular Formula

C10H10N2O2 (C10 H10 N2 O2)

Compound Name

4-[4-(aminomethyl)-3-isoxazolyl]phenol

IUPAC name

4-[4-(aminomethyl)-12-oxazol-3-yl]phenol

SMILES

NCc1conc1-c(cc1)ccc1O

InChI

InChI=1S/C10H10N2O2/c11-5-8-6-14-12-10(8)7-1-3-9(13)4-2-7/h1-4,6,13H,5,11H2

InChI Key

KJVLKZPXUSFRSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08142646

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

190.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.327

Distribution Coefficient, logD

-2.243

Water Solubility, LogSw

-1.20

Polar Surface Area

63.516

Acid Dissociation Constant (pKa)

9.31

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8018-7115 in Drug Discovery

Included in Screening Libraries

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

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-7115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-7115?
Check Price and Availability of 8018-7115, 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 8018-7115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-7115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-7115
  • 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 8018-7115 available by request