T842-1346 Screening compound: 1-(3-chloro-4-fluorobenzoyl)-3-[3-(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidine

T842-1346 Screening compound: 1-(3-chloro-4-fluorobenzoyl)-3-[3-(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidine
T842-1346 Screening compound: 1-(3-chloro-4-fluorobenzoyl)-3-[3-(propan-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-1346
1-(3-chloro-4-fluorobenzoyl)-3-[3-(propan-2-yl)-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

T842-1346

Molecular Formula

C20H20ClFN4O (C20 H20 ClFN4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)n1c(cncc2)c2nc1C(CC1)CN1C(c(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C20H20ClFN4O/c1-12(2)26-18-10-23-7-5-17(18)24-19(26)14-6-8-25(11-14)20(27)13-3-4-16(22)15(21)9-13/h3-5,7,9-10,12,14H,6,8,11H2,1-2H3/t14-/m1/s1

InChI Key

AGUSBAWHEASXEY-CQSZACIVSA-N

MDL Number (MFCD)

MFCD28121728

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.86

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

3.383

Distribution Coefficient, logD

3.383

Water Solubility, LogSw

-3.81

Polar Surface Area

37.708

Acid Dissociation Constant (pKa)

22.90

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

T842-1346 in Drug Discovery

Included in Screening Libraries

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:
  • 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 T842-1346 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-1346?
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What is the minimum amount of T842-1346 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-1346
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-1346
  • 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 T842-1346 available by request