T842-0036 Screening compound: 1-(3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidin-1-yl)-2-(4-methylphenyl)ethan-1-one

T842-0036 Screening compound: 1-(3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidin-1-yl)-2-(4-methylphenyl)ethan-1-one
T842-0036 Screening compound: 1-(3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidin-1-yl)-2-(4-methylphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-0036
1-(3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidin-1-yl)-2-(4-methylphenyl)ethan-1-one

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

T842-0036

Molecular Formula

C20H22N4O (C20 H22 N4 O)

Compound Name

1-(3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidin-1-yl)-2-(4-methylphenyl)ethan-1-one

IUPAC name

1-(3-{3-methyl-3H-imidazo[45-c]pyridin-2-yl}pyrrolidin-1-yl)-2-(4-methylphenyl)ethan-1-one

SMILES

Cc1ccc(CC(N(CC2)CC2c2nc(ccnc3)c3n2C)=O)cc1

InChI

InChI=1S/C20H22N4O/c1-14-3-5-15(6-4-14)11-19(25)24-10-8-16(13-24)20-22-17-7-9-21-12-18(17)23(20)2/h3-7,9,12,16H,8,10-11,13H2,1-2H3/t16-/m1/s1

InChI Key

MEHYORXFFCJGDS-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD28121621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

334.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.806

Distribution Coefficient, logD

2.781

Water Solubility, LogSw

-2.51

Polar Surface Area

36.915

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

T842-0036 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T842-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-0036?
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What is the minimum amount of T842-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-0036
  • 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 T842-0036 available by request