T845-0770 Screening compound: N-(1-BENZYL-4-PIPERIDYL)-2-(2-ETHYL-3-METHYL-3,4,6,7-TETRAHYDRO-5H-IMIDAZO[4,5-C]PYRIDIN-5-YL)ACETAMIDE

T845-0770 Screening compound: N-(1-BENZYL-4-PIPERIDYL)-2-(2-ETHYL-3-METHYL-3,4,6,7-TETRAHYDRO-5H-IMIDAZO[4,5-C]PYRIDIN-5-YL)ACETAMIDE
T845-0770 Screening compound: N-(1-BENZYL-4-PIPERIDYL)-2-(2-ETHYL-3-METHYL-3,4,6,7-TETRAHYDRO-5H-IMIDAZO[4,5-C]PYRIDIN-5-YL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound T845-0770
N-(1-BENZYL-4-PIPERIDYL)-2-(2-ETHYL-3-METHYL-3,4,6,7-TETRAHYDRO-5H-IMIDAZO[4,5-C]PYRIDIN-5-YL)ACETAMIDE

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

T845-0770

Molecular Formula

C23H33N5O (C23 H33 N5 O)

Compound Name

N-(1-BENZYL-4-PIPERIDYL)-2-(2-ETHYL-3-METHYL-3,4,6,7-TETRAHYDRO-5H-IMIDAZO[4,5-C]PYRIDIN-5-YL)ACETAMIDE

IUPAC name

n/a

SMILES

CCc1nc(CCN(CC(NC2CCN(Cc3ccccc3)CC2)=O)C2)c2n1C

InChI

InChI=1S/C23H33N5O/c1-3-22-25-20-11-14-28(16-21(20)26(22)2)17-23(29)24-19-9-12-27(13-10-19)15-18-7-5-4-6-8-18/h4-8,19H,3,9-17H2,1-2H3,(H,24,29)

InChI Key

AOQQUHHVJUQSBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27624340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.55

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

2.125

Distribution Coefficient, logD

0.567

Water Solubility, LogSw

-2.48

Polar Surface Area

45.352

Acid Dissociation Constant (pKa)

14.91

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

T845-0770 in Drug Discovery

Included in Screening Libraries

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

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T845-0770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T845-0770?
Check Price and Availability of T845-0770, 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 T845-0770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T845-0770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T845-0770
  • 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 T845-0770 available by request