T495-3068 Screening compound: N~1~-({5-[(4-ethylphenyl)sulfonyl]-3-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl}methyl)-1-cyclobutanecarboxamide

T495-3068 Screening compound: N~1~-({5-[(4-ethylphenyl)sulfonyl]-3-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl}methyl)-1-cyclobutanecarboxamide
T495-3068 Screening compound: N~1~-({5-[(4-ethylphenyl)sulfonyl]-3-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl}methyl)-1-cyclobutanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T495-3068
N~1~-({5-[(4-ethylphenyl)sulfonyl]-3-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl}methyl)-1-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

T495-3068

Molecular Formula

C21H28N4O3S (C21 H28 N4 O3 S)

Compound Name

N~1~-({5-[(4-ethylphenyl)sulfonyl]-3-methyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-2-yl}methyl)-1-cyclobutanecarboxamide

IUPAC name

N-{[5-(4-ethylbenzenesulfonyl)-3-methyl-3H4H5H6H7H-imidazo[45-c]pyridin-2-yl]methyl}cyclobutanecarboxamide

SMILES

CCc(cc1)ccc1S(N(CC1)Cc2c1nc(CNC(C1CCC1)=O)n2C)(=O)=O

InChI

InChI=1S/C21H28N4O3S/c1-3-15-7-9-17(10-8-15)29(27,28)25-12-11-18-19(14-25)24(2)20(23-18)13-22-21(26)16-5-4-6-16/h7-10,16H,3-6,11-14H2,1-2H3,(H,22,26)

InChI Key

XGFBYXUHXFZKED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27622063

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.874

Distribution Coefficient, logD

1.869

Water Solubility, LogSw

-2.62

Polar Surface Area

70.530

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

5.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

T495-3068 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 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

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 T495-3068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T495-3068?
Check Price and Availability of T495-3068, 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 T495-3068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T495-3068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T495-3068
  • 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 T495-3068 available by request