M466-0612 Screening compound: N~1~-(2-oxo-2-{[3-(2-thienyl)-5-isoxazolyl]amino}ethyl)benzamide

M466-0612 Screening compound: N~1~-(2-oxo-2-{[3-(2-thienyl)-5-isoxazolyl]amino}ethyl)benzamide
M466-0612 Screening compound: N~1~-(2-oxo-2-{[3-(2-thienyl)-5-isoxazolyl]amino}ethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M466-0612
N~1~-(2-oxo-2-{[3-(2-thienyl)-5-isoxazolyl]amino}ethyl)benzamide

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

M466-0612

Molecular Formula

C16H13N3O3S (C16 H13 N3 O3 S)

Compound Name

N~1~-(2-oxo-2-{[3-(2-thienyl)-5-isoxazolyl]amino}ethyl)benzamide

IUPAC name

2-(phenylformamido)-N-[3-(thiophen-2-yl)-12-oxazol-5-yl]acetamide

SMILES

O=C(CNC(c1ccccc1)=O)Nc1cc(-c2cccs2)no1

InChI

InChI=1S/C16H13N3O3S/c20-14(10-17-16(21)11-5-2-1-3-6-11)18-15-9-12(19-22-15)13-7-4-8-23-13/h1-9H,10H2,(H,17,21)(H,18,20)

InChI Key

DPGUXHPIAHUCQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27543619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.855

Distribution Coefficient, logD

2.855

Water Solubility, LogSw

-3.44

Polar Surface Area

71.100

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

M466-0612 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with M466-0612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M466-0612?
Check Price and Availability of M466-0612, 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 M466-0612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M466-0612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M466-0612
  • 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 M466-0612 available by request