T842-0050 Screening compound: 2-cyclohexyl-1-(3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidin-1-yl)ethan-1-one

T842-0050 Screening compound: 2-cyclohexyl-1-(3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidin-1-yl)ethan-1-one
T842-0050 Screening compound: 2-cyclohexyl-1-(3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-0050
2-cyclohexyl-1-(3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidin-1-yl)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

T842-0050

Molecular Formula

C19H26N4O (C19 H26 N4 O)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(cncc2)c2nc1C(CC1)CN1C(CC1CCCCC1)=O

InChI

InChI=1S/C19H26N4O/c1-22-17-12-20-9-7-16(17)21-19(22)15-8-10-23(13-15)18(24)11-14-5-3-2-4-6-14/h7,9,12,14-15H,2-6,8,10-11,13H2,1H3/t15-/m1/s1

InChI Key

DKWSSRCYQNTBAX-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD28121627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.44

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

3.133

Distribution Coefficient, logD

3.109

Water Solubility, LogSw

-2.69

Polar Surface Area

37.107

Acid Dissociation Constant (pKa)

24.28

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.20

T842-0050 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 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
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T842-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-0050?
Check Price and Availability of T842-0050, 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 T842-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-0050
  • 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 T842-0050 available by request