M446-0170 Screening compound: ethyl 3-{2-[8-(4-methylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate

M446-0170 Screening compound: ethyl 3-{2-[8-(4-methylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate
M446-0170 Screening compound: ethyl 3-{2-[8-(4-methylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M446-0170
ethyl 3-{2-[8-(4-methylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate

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

M446-0170

Molecular Formula

C23H21N5O5 (C23 H21 N5 O5)

Compound Name

ethyl 3-{2-[8-(4-methylphenoxy)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]acetamido}benzoate

IUPAC name

ethyl 3-{2-[8-(4-methylphenoxy)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]acetamido}benzoate

SMILES

CCOC(c1cccc(NC(CN2N=C(C(Oc3ccc(C)cc3)=NC=C3)N3C2=O)=O)c1)=O

InChI

InChI=1S/C23H21N5O5/c1-3-32-22(30)16-5-4-6-17(13-16)25-19(29)14-28-23(31)27-12-11-24-21(20(27)26-28)33-18-9-7-15(2)8-10-18/h4-13H,3,14H2,1-2H3,(H,25,29)

InChI Key

YXOSJIFWAMITFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27541713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.397

Distribution Coefficient, logD

3.397

Water Solubility, LogSw

-3.59

Polar Surface Area

90.968

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with M446-0170 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M446-0170?
Check Price and Availability of M446-0170, 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 M446-0170 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M446-0170
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M446-0170
  • 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 M446-0170 available by request