M460-4128 Screening compound: N-(4-butylphenyl)-2-{8-[4-(2-methylphenyl)piperazin-1-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide

M460-4128 Screening compound: N-(4-butylphenyl)-2-{8-[4-(2-methylphenyl)piperazin-1-yl]-3-oxo-2H,3H-[1,2,4]triazolo[4,3-a]pyrazin-2-yl}acetamide
M460-4128 Screening compound: N-(4-butylphenyl)-2-{8-[4-(2-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 M460-4128
N-(4-butylphenyl)-2-{8-[4-(2-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

M460-4128

Molecular Formula

C28H33N7O2 (C28 H33 N7 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCCc(cc1)ccc1NC(CN1N=C(C(N(CC2)CCN2c2c(C)cccc2)=NC=C2)N2C1=O)=O

InChI

InChI=1S/C28H33N7O2/c1-3-4-8-22-10-12-23(13-11-22)30-25(36)20-35-28(37)34-15-14-29-26(27(34)31-35)33-18-16-32(17-19-33)24-9-6-5-7-21(24)2/h5-7,9-15H,3-4,8,16-20H2,1-2H3,(H,30,36)

InChI Key

AXKSBUGAAQDQQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22593509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.881

Distribution Coefficient, logD

4.881

Water Solubility, LogSw

-4.42

Polar Surface Area

68.168

Acid Dissociation Constant (pKa)

13.21

Base Dissociation Constant (pKb)

3.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

M460-4128 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 M460-4128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M460-4128?
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What is the minimum amount of M460-4128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M460-4128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M460-4128
  • 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 M460-4128 available by request