T845-1966 Screening compound: 2-(2,3-DIETHYL-3,4,6,7-TETRAHYDRO-5H-IMIDAZO[4,5-C]PYRIDIN-5-YL)-N-(3-ISOPROPYLPHENYL)ACETAMIDE

T845-1966 Screening compound: 2-(2,3-DIETHYL-3,4,6,7-TETRAHYDRO-5H-IMIDAZO[4,5-C]PYRIDIN-5-YL)-N-(3-ISOPROPYLPHENYL)ACETAMIDE
T845-1966 Screening compound: 2-(2,3-DIETHYL-3,4,6,7-TETRAHYDRO-5H-IMIDAZO[4,5-C]PYRIDIN-5-YL)-N-(3-ISOPROPYLPHENYL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound T845-1966
2-(2,3-DIETHYL-3,4,6,7-TETRAHYDRO-5H-IMIDAZO[4,5-C]PYRIDIN-5-YL)-N-(3-ISOPROPYLPHENYL)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

T845-1966

Molecular Formula

C21H30N4O (C21 H30 N4 O)

Compound Name

2-(2,3-DIETHYL-3,4,6,7-TETRAHYDRO-5H-IMIDAZO[4,5-C]PYRIDIN-5-YL)-N-(3-ISOPROPYLPHENYL)ACETAMIDE

IUPAC name

n/a

SMILES

CCc1nc(CCN(CC(Nc2cc(C(C)C)ccc2)=O)C2)c2n1CC

InChI

InChI=1S/C21H30N4O/c1-5-20-23-18-10-11-24(13-19(18)25(20)6-2)14-21(26)22-17-9-7-8-16(12-17)15(3)4/h7-9,12,15H,5-6,10-11,13-14H2,1-4H3,(H,22,26)

InChI Key

JJMSNQJRRWOPFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27624361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.387

Distribution Coefficient, logD

2.443

Water Solubility, LogSw

-4.13

Polar Surface Area

39.679

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

9.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

T845-1966 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T845-1966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T845-1966?
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What is the minimum amount of T845-1966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T845-1966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T845-1966
  • 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 T845-1966 available by request