M512-0457 Screening compound: (4-phenyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)(3-thienyl)methanone

M512-0457 Screening compound: (4-phenyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)(3-thienyl)methanone
M512-0457 Screening compound: (4-phenyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)(3-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound M512-0457
(4-phenyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)(3-thienyl)methanone

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

M512-0457

Molecular Formula

C17H15N3OS (C17 H15 N3 OS)

Compound Name

(4-phenyl-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)(3-thienyl)methanone

IUPAC name

4-phenyl-5-(thiophene-3-carbonyl)-1H4H5H6H7H-imidazo[45-c]pyridine

SMILES

O=C(c1cscc1)N(CCc1c2nc[nH]1)C2c1ccccc1

InChI

InChI=1S/C17H15N3OS/c21-17(13-7-9-22-10-13)20-8-6-14-15(19-11-18-14)16(20)12-4-2-1-3-5-12/h1-5,7,9-11,16H,6,8H2,(H,18,19)/t16-/m1/s1

InChI Key

AOUSCOLGUNPUHY-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27545969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.176

Distribution Coefficient, logD

3.168

Water Solubility, LogSw

-3.26

Polar Surface Area

40.070

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.65

M512-0457 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Bromodomain Modulators Library (5801 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M512-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M512-0457?
Check Price and Availability of M512-0457, 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 M512-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M512-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M512-0457
  • 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 M512-0457 available by request