M058-0914 Screening compound: N-(2-ethoxybenzyl)-5-isobutyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

M058-0914 Screening compound: N-(2-ethoxybenzyl)-5-isobutyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
M058-0914 Screening compound: N-(2-ethoxybenzyl)-5-isobutyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M058-0914
N-(2-ethoxybenzyl)-5-isobutyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

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

M058-0914

Molecular Formula

C22H27N3O3 (C22 H27 N3 O3)

Compound Name

N-(2-ethoxybenzyl)-5-isobutyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridine-2-carboxamide

IUPAC name

N-[(2-ethoxyphenyl)methyl]-1-methyl-5-(2-methylpropyl)-4-oxo-1H4H5H-pyrrolo[32-c]pyridine-2-carboxamide

SMILES

CCOc1c(CNC(c2cc(C(N(CC(C)C)C=C3)=O)c3n2C)=O)cccc1

InChI

InChI=1S/C22H27N3O3/c1-5-28-20-9-7-6-8-16(20)13-23-21(26)19-12-17-18(24(19)4)10-11-25(22(17)27)14-15(2)3/h6-12,15H,5,13-14H2,1-4H3,(H,23,26)

InChI Key

RKMMVROKBPUDSG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.584

Distribution Coefficient, logD

3.584

Water Solubility, LogSw

-3.75

Polar Surface Area

49.594

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

M058-0914 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 M058-0914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M058-0914?
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What is the minimum amount of M058-0914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M058-0914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M058-0914
  • 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 M058-0914 available by request