M477-0591 Screening compound: N-{2-[3-(propan-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]ethyl}cyclopentanecarboxamide

M477-0591 Screening compound: N-{2-[3-(propan-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]ethyl}cyclopentanecarboxamide
M477-0591 Screening compound: N-{2-[3-(propan-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]ethyl}cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M477-0591
N-{2-[3-(propan-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]ethyl}cyclopentanecarboxamide

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

M477-0591

Molecular Formula

C17H24N4O (C17 H24 N4 O)

Compound Name

N-{2-[3-(propan-2-yl)-3H-imidazo[4,5-b]pyridin-2-yl]ethyl}cyclopentanecarboxamide

IUPAC name

N-{2-[3-(propan-2-yl)-3H-imidazo[45-b]pyridin-2-yl]ethyl}cyclopentanecarboxamide

SMILES

CC(C)n1c(nccc2)c2nc1CCNC(C1CCCC1)=O

InChI

InChI=1S/C17H24N4O/c1-12(2)21-15(20-14-8-5-10-18-16(14)21)9-11-19-17(22)13-6-3-4-7-13/h5,8,10,12-13H,3-4,6-7,9,11H2,1-2H3,(H,19,22)

InChI Key

AIGZEBNZMFBABN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27544323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

300.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.337

Distribution Coefficient, logD

2.337

Water Solubility, LogSw

-2.70

Polar Surface Area

47.210

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.80

M477-0591 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Soluble Diversity Library (15920 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M477-0591 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M477-0591?
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What is the minimum amount of M477-0591 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M477-0591
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M477-0591
  • 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 M477-0591 available by request