M058-0821 Screening compound: 5-ISOBUTYL-2-{[4-(4-METHOXYPHENYL)PIPERAZINO]CARBONYL}-1-METHYL-1,5-DIHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE

M058-0821 Screening compound: 5-ISOBUTYL-2-{[4-(4-METHOXYPHENYL)PIPERAZINO]CARBONYL}-1-METHYL-1,5-DIHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE
M058-0821 Screening compound: 5-ISOBUTYL-2-{[4-(4-METHOXYPHENYL)PIPERAZINO]CARBONYL}-1-METHYL-1,5-DIHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound M058-0821
5-ISOBUTYL-2-{[4-(4-METHOXYPHENYL)PIPERAZINO]CARBONYL}-1-METHYL-1,5-DIHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE

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

M058-0821

Molecular Formula

C24H30N4O3 (C24 H30 N4 O3)

Compound Name

5-ISOBUTYL-2-{[4-(4-METHOXYPHENYL)PIPERAZINO]CARBONYL}-1-METHYL-1,5-DIHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE

IUPAC name

n/a

SMILES

CC(C)CN(C=Cc1c2cc(C(N(CC3)CCN3c(cc3)ccc3OC)=O)n1C)C2=O

InChI

InChI=1S/C24H30N4O3/c1-17(2)16-28-10-9-21-20(23(28)29)15-22(25(21)3)24(30)27-13-11-26(12-14-27)18-5-7-19(31-4)8-6-18/h5-10,15,17H,11-14,16H2,1-4H3

InChI Key

UQCARZSKOLOUFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.230

Distribution Coefficient, logD

3.230

Water Solubility, LogSw

-3.52

Polar Surface Area

45.422

Acid Dissociation Constant (pKa)

25.44

Base Dissociation Constant (pKb)

7.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

M058-0821 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 M058-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M058-0821?
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What is the minimum amount of M058-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M058-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M058-0821
  • 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 M058-0821 available by request