T842-0067 Screening compound: 1-(2-chloro-4-fluorobenzoyl)-3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidine

T842-0067 Screening compound: 1-(2-chloro-4-fluorobenzoyl)-3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidine
T842-0067 Screening compound: 1-(2-chloro-4-fluorobenzoyl)-3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-0067
1-(2-chloro-4-fluorobenzoyl)-3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidine

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

T842-0067

Molecular Formula

C18H16ClFN4O (C18 H16 ClFN4 O)

Compound Name

1-(2-chloro-4-fluorobenzoyl)-3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidine

IUPAC name

1-(2-chloro-4-fluorobenzoyl)-3-{3-methyl-3H-imidazo[45-c]pyridin-2-yl}pyrrolidine

SMILES

Cn1c(cncc2)c2nc1C(CC1)CN1C(c(ccc(F)c1)c1Cl)=O

InChI

InChI=1S/C18H16ClFN4O/c1-23-16-9-21-6-4-15(16)22-17(23)11-5-7-24(10-11)18(25)13-3-2-12(20)8-14(13)19/h2-4,6,8-9,11H,5,7,10H2,1H3/t11-/m1/s1

InChI Key

CORXMIYUNFFAMF-LLVKDONJSA-N

MDL Number (MFCD)

MFCD28121634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.697

Distribution Coefficient, logD

2.687

Water Solubility, LogSw

-3.55

Polar Surface Area

37.443

Acid Dissociation Constant (pKa)

25.56

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

T842-0067 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T842-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-0067?
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What is the minimum amount of T842-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-0067
  • 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 T842-0067 available by request