M512-0387 Screening compound: 2,5-dimethylbenzyl (1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl) sulfone

M512-0387 Screening compound: 2,5-dimethylbenzyl (1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl) sulfone
M512-0387 Screening compound: 2,5-dimethylbenzyl (1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl) sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound M512-0387
2,5-dimethylbenzyl (1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl) sulfone

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

M512-0387

Molecular Formula

C15H19N3O2S (C15 H19 N3 O2 S)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1cc(CS(N(CC2)Cc3c2[nH]cn3)(=O)=O)c(C)cc1

InChI

InChI=1S/C15H19N3O2S/c1-11-3-4-12(2)13(7-11)9-21(19,20)18-6-5-14-15(8-18)17-10-16-14/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,16,17)

InChI Key

OIUILGTVJWAUKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27545962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.147

Distribution Coefficient, logD

-0.863

Water Solubility, LogSw

-2.61

Polar Surface Area

55.335

Acid Dissociation Constant (pKa)

14.41

Base Dissociation Constant (pKb)

10.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

M512-0387 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with M512-0387 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M512-0387?
Check Price and Availability of M512-0387, 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 M512-0387 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M512-0387
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M512-0387
  • 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 M512-0387 available by request