8020-8946 Screening compound: 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-isoxazolecarboxylic acid

8020-8946 Screening compound: 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-isoxazolecarboxylic acid
8020-8946 Screening compound: 4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-isoxazolecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8946
4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-isoxazolecarboxylic acid

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

8020-8946

Molecular Formula

C18H15NO5 (C18 H15 NO5)

Compound Name

4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-5-isoxazolecarboxylic acid

IUPAC name

n/a

SMILES

COc(cc1)ccc1-c1noc(C(O)=O)c1-c1cc(OC)ccc1

InChI

InChI=1S/C18H15NO5/c1-22-13-8-6-11(7-9-13)16-15(17(18(20)21)24-19-16)12-4-3-5-14(10-12)23-2/h3-10H,1-2H3,(H,20,21)

InChI Key

RXTGJUDEXHPFHW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.32

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.232

Distribution Coefficient, logD

-3.535

Water Solubility, LogSw

-3.45

Polar Surface Area

66.001

Acid Dissociation Constant (pKa)

0.63

Base Dissociation Constant (pKb)

-7.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8020-8946 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8020-8946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8946?
Check Price and Availability of 8020-8946, 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 8020-8946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8946
  • 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 8020-8946 available by request