T495-0600 Screening compound: N-({3-methyl-5-[2-(thiophen-3-yl)acetyl]-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}methyl)cyclobutanecarboxamide

T495-0600 Screening compound: N-({3-methyl-5-[2-(thiophen-3-yl)acetyl]-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}methyl)cyclobutanecarboxamide
T495-0600 Screening compound: N-({3-methyl-5-[2-(thiophen-3-yl)acetyl]-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}methyl)cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T495-0600
N-({3-methyl-5-[2-(thiophen-3-yl)acetyl]-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}methyl)cyclobutanecarboxamide

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

T495-0600

Molecular Formula

C19H24N4O2S (C19 H24 N4 O2 S)

Compound Name

N-({3-methyl-5-[2-(thiophen-3-yl)acetyl]-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}methyl)cyclobutanecarboxamide

IUPAC name

N-({3-methyl-5-[2-(thiophen-3-yl)acetyl]-3H4H5H6H7H-imidazo[45-c]pyridin-2-yl}methyl)cyclobutanecarboxamide

SMILES

Cn1c(CN(CC2)C(Cc3cscc3)=O)c2nc1CNC(C1CCC1)=O

InChI

InChI=1S/C19H24N4O2S/c1-22-16-11-23(18(24)9-13-6-8-26-12-13)7-5-15(16)21-17(22)10-20-19(25)14-3-2-4-14/h6,8,12,14H,2-5,7,9-11H2,1H3,(H,20,25)

InChI Key

HJYDKKGGKKJKPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121424

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.699

Distribution Coefficient, logD

0.655

Water Solubility, LogSw

-2.14

Polar Surface Area

55.958

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

6.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.60

T495-0600 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 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
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T495-0600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T495-0600?
Check Price and Availability of T495-0600, 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 T495-0600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T495-0600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T495-0600
  • 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 T495-0600 available by request