M460-1461 Screening compound: 2-[8-(azepan-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,4-dimethoxyphenyl)acetamide

M460-1461 Screening compound: 2-[8-(azepan-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,4-dimethoxyphenyl)acetamide
M460-1461 Screening compound: 2-[8-(azepan-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,4-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M460-1461
2-[8-(azepan-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,4-dimethoxyphenyl)acetamide

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

M460-1461

Molecular Formula

C21H26N6O4 (C21 H26 N6 O4)

Compound Name

2-[8-(azepan-1-yl)-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl]-N-(2,4-dimethoxyphenyl)acetamide

IUPAC name

2-[8-(azepan-1-yl)-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl]-N-(24-dimethoxyphenyl)acetamide

SMILES

COc(cc1)cc(OC)c1NC(CN1N=C(C(N2CCCCCC2)=NC=C2)N2C1=O)=O

InChI

InChI=1S/C21H26N6O4/c1-30-15-7-8-16(17(13-15)31-2)23-18(28)14-27-21(29)26-12-9-22-19(20(26)24-27)25-10-5-3-4-6-11-25/h7-9,12-13H,3-6,10-11,14H2,1-2H3,(H,23,28)

InChI Key

YHPDXISIMQMGQC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.895

Distribution Coefficient, logD

1.895

Water Solubility, LogSw

-2.77

Polar Surface Area

80.016

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

5.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

M460-1461 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M460-1461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M460-1461?
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What is the minimum amount of M460-1461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M460-1461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M460-1461
  • 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 M460-1461 available by request