Y043-4349 Screening compound: 2-(1H-indol-1-yl)-1-(1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)-1-ethanone

Y043-4349 Screening compound: 2-(1H-indol-1-yl)-1-(1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)-1-ethanone
Y043-4349 Screening compound: 2-(1H-indol-1-yl)-1-(1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-4349
2-(1H-indol-1-yl)-1-(1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)-1-ethanone

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

Y043-4349

Molecular Formula

C16H16N4O (C16 H16 N4 O)

Compound Name

2-(1H-indol-1-yl)-1-(1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)-1-ethanone

IUPAC name

1-{1H4H5H6H7H-imidazo[45-c]pyridin-5-yl}-2-(1H-indol-1-yl)ethan-1-one

SMILES

O=C(Cn(cc1)c2c1cccc2)N(CC1)Cc2c1[nH]cn2

InChI

InChI=1S/C16H16N4O/c21-16(20-8-6-13-14(9-20)18-11-17-13)10-19-7-5-12-3-1-2-4-15(12)19/h1-5,7,11H,6,8-10H2,(H,17,18)

InChI Key

LCRHPWFMQIBKPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27963146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.310

Distribution Coefficient, logD

0.860

Water Solubility, LogSw

-2.02

Polar Surface Area

41.962

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y043-4349 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Fragments Library (11262 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
Structure:
  • Fragments
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with Y043-4349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-4349?
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What is the minimum amount of Y043-4349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-4349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-4349
  • 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 Y043-4349 available by request