M460-4059 Screening compound: N-(3,4-dimethylphenyl)-2-{8-[4-(4-methylphenyl)piperazin-1-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

M460-4059 Screening compound: N-(3,4-dimethylphenyl)-2-{8-[4-(4-methylphenyl)piperazin-1-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide
M460-4059 Screening compound: N-(3,4-dimethylphenyl)-2-{8-[4-(4-methylphenyl)piperazin-1-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M460-4059
N-(3,4-dimethylphenyl)-2-{8-[4-(4-methylphenyl)piperazin-1-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}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

M460-4059

Molecular Formula

C26H29N7O2 (C26 H29 N7 O2)

Compound Name

N-(3,4-dimethylphenyl)-2-{8-[4-(4-methylphenyl)piperazin-1-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

IUPAC name

N-(34-dimethylphenyl)-2-{8-[4-(4-methylphenyl)piperazin-1-yl]-3-oxo-2H3H-[124]triazolo[43-a]pyrazin-2-yl}acetamide

SMILES

Cc(cc1)ccc1N(CC1)CCN1C(C1=NN2CC(Nc3cc(C)c(C)cc3)=O)=NC=CN1C2=O

InChI

InChI=1S/C26H29N7O2/c1-18-4-8-22(9-5-18)30-12-14-31(15-13-30)24-25-29-33(26(35)32(25)11-10-27-24)17-23(34)28-21-7-6-19(2)20(3)16-21/h4-11,16H,12-15,17H2,1-3H3,(H,28,34)

InChI Key

OXTHFFZJNNUOKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27542932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.822

Distribution Coefficient, logD

3.822

Water Solubility, LogSw

-3.76

Polar Surface Area

68.469

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

M460-4059 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M460-4059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M460-4059?
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What is the minimum amount of M460-4059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M460-4059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M460-4059
  • 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 M460-4059 available by request