M512-0444 Screening compound: 1-(4-phenyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)-2-(2-thienyl)-1-ethanone

M512-0444 Screening compound: 1-(4-phenyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)-2-(2-thienyl)-1-ethanone
M512-0444 Screening compound: 1-(4-phenyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)-2-(2-thienyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M512-0444
1-(4-phenyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)-2-(2-thienyl)-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

M512-0444

Molecular Formula

C18H17N3OS (C18 H17 N3 OS)

Compound Name

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

IUPAC name

1-{4-phenyl-1H4H5H6H7H-imidazo[45-c]pyridin-5-yl}-2-(thiophen-2-yl)ethan-1-one

SMILES

O=C(Cc1cccs1)N(CCc1c2nc[nH]1)C2c1ccccc1

InChI

InChI=1S/C18H17N3OS/c22-16(11-14-7-4-10-23-14)21-9-8-15-17(20-12-19-15)18(21)13-5-2-1-3-6-13/h1-7,10,12,18H,8-9,11H2,(H,19,20)/t18-/m1/s1

InChI Key

HQKTYWBVNLIYQC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27545968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.995

Distribution Coefficient, logD

2.930

Water Solubility, LogSw

-3.25

Polar Surface Area

39.543

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

6.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.22

M512-0444 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M512-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M512-0444?
Check Price and Availability of M512-0444, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of M512-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M512-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M512-0444
  • 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 M512-0444 available by request