T842-1283 Screening compound: 3-cyclohexyl-1-{3-[3-(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl}propan-1-one

T842-1283 Screening compound: 3-cyclohexyl-1-{3-[3-(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl}propan-1-one
T842-1283 Screening compound: 3-cyclohexyl-1-{3-[3-(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-1283
3-cyclohexyl-1-{3-[3-(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidin-1-yl}propan-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

T842-1283

Molecular Formula

C22H32N4O (C22 H32 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)n1c(cncc2)c2nc1C(CC1)CN1C(CCC1CCCCC1)=O

InChI

InChI=1S/C22H32N4O/c1-16(2)26-20-14-23-12-10-19(20)24-22(26)18-11-13-25(15-18)21(27)9-8-17-6-4-3-5-7-17/h10,12,14,16-18H,3-9,11,13,15H2,1-2H3/t18-/m1/s1

InChI Key

YADGVSXKNPTMOC-GOSISDBHSA-N

MDL Number (MFCD)

MFCD28121717

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.220

Distribution Coefficient, logD

4.219

Water Solubility, LogSw

-3.97

Polar Surface Area

37.373

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

4.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.20

T842-1283 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 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
  • 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 T842-1283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-1283?
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What is the minimum amount of T842-1283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-1283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-1283
  • 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 T842-1283 available by request