T842-0117 Screening compound: 2-(4-chlorophenyl)-1-(3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidin-1-yl)ethan-1-one

T842-0117 Screening compound: 2-(4-chlorophenyl)-1-(3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidin-1-yl)ethan-1-one
T842-0117 Screening compound: 2-(4-chlorophenyl)-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 T842-0117
2-(4-chlorophenyl)-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

T842-0117

Molecular Formula

C19H19ClN4O (C19 H19 ClN4 O)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(cncc2)c2nc1C(CC1)CN1C(Cc(cc1)ccc1Cl)=O

InChI

InChI=1S/C19H19ClN4O/c1-23-17-11-21-8-6-16(17)22-19(23)14-7-9-24(12-14)18(25)10-13-2-4-15(20)5-3-13/h2-6,8,11,14H,7,9-10,12H2,1H3/t14-/m1/s1

InChI Key

YCFSGGJZRRPNQR-CQSZACIVSA-N

MDL Number (MFCD)

MFCD28121656

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.84

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

2.977

Distribution Coefficient, logD

2.952

Water Solubility, LogSw

-3.19

Polar Surface Area

36.915

Acid Dissociation Constant (pKa)

17.48

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

T842-0117 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 T842-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-0117?
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What is the minimum amount of T842-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-0117
  • 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 T842-0117 available by request