M058-0833 Screening compound: N-(2,5-diethoxyphenyl)-1-methyl-5-(2-methylpropyl)-4-oxo-1H,4H,5H-pyrrolo[3,2-c]pyridine-2-carboxamide

M058-0833 Screening compound: N-(2,5-diethoxyphenyl)-1-methyl-5-(2-methylpropyl)-4-oxo-1H,4H,5H-pyrrolo[3,2-c]pyridine-2-carboxamide
M058-0833 Screening compound: N-(2,5-diethoxyphenyl)-1-methyl-5-(2-methylpropyl)-4-oxo-1H,4H,5H-pyrrolo[3,2-c]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M058-0833
N-(2,5-diethoxyphenyl)-1-methyl-5-(2-methylpropyl)-4-oxo-1H,4H,5H-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

M058-0833

Molecular Formula

C23H29N3O4 (C23 H29 N3 O4)

Compound Name

N-(2,5-diethoxyphenyl)-1-methyl-5-(2-methylpropyl)-4-oxo-1H,4H,5H-pyrrolo[3,2-c]pyridine-2-carboxamide

IUPAC name

N-(25-diethoxyphenyl)-1-methyl-5-(2-methylpropyl)-4-oxo-1H4H5H-pyrrolo[32-c]pyridine-2-carboxamide

SMILES

CCOc(cc1)cc(NC(c2cc(C(N(CC(C)C)C=C3)=O)c3n2C)=O)c1OCC

InChI

InChI=1S/C23H29N3O4/c1-6-29-16-8-9-21(30-7-2)18(12-16)24-22(27)20-13-17-19(25(20)5)10-11-26(23(17)28)14-15(3)4/h8-13,15H,6-7,14H2,1-5H3,(H,24,27)

InChI Key

WVJCTXCYOYPFAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27494786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.922

Distribution Coefficient, logD

3.789

Water Solubility, LogSw

-3.98

Polar Surface Area

54.697

Acid Dissociation Constant (pKa)

7.85

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

M058-0833 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 M058-0833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M058-0833?
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What is the minimum amount of M058-0833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M058-0833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M058-0833
  • 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 M058-0833 available by request