T495-0957 Screening compound: N-({3-ethyl-5-[3-(trifluoromethyl)benzoyl]-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}methyl)propanamide

T495-0957 Screening compound: N-({3-ethyl-5-[3-(trifluoromethyl)benzoyl]-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}methyl)propanamide
T495-0957 Screening compound: N-({3-ethyl-5-[3-(trifluoromethyl)benzoyl]-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}methyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T495-0957
N-({3-ethyl-5-[3-(trifluoromethyl)benzoyl]-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}methyl)propanamide

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

T495-0957

Molecular Formula

C20H23F3N4O2 (C20 H23 F3 N4 O2)

Compound Name

N-({3-ethyl-5-[3-(trifluoromethyl)benzoyl]-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-2-yl}methyl)propanamide

IUPAC name

N-({3-ethyl-5-[3-(trifluoromethyl)benzoyl]-3H4H5H6H7H-imidazo[45-c]pyridin-2-yl}methyl)propanamide

SMILES

CCC(NCc1nc(CCN(C2)C(c3cccc(C(F)(F)F)c3)=O)c2n1CC)=O

InChI

InChI=1S/C20H23F3N4O2/c1-3-18(28)24-11-17-25-15-8-9-26(12-16(15)27(17)4-2)19(29)13-6-5-7-14(10-13)20(21,22)23/h5-7,10H,3-4,8-9,11-12H2,1-2H3,(H,24,28)

InChI Key

RULQWYDQGBKPDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27621999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.249

Distribution Coefficient, logD

2.248

Water Solubility, LogSw

-2.88

Polar Surface Area

53.917

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

4.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

T495-0957 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

Bromodomain Modulators Library (5801 compounds)

CNS BBB Library (22607 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T495-0957 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T495-0957?
Check Price and Availability of T495-0957, 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 T495-0957 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T495-0957
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T495-0957
  • 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 T495-0957 available by request