T842-0843 Screening compound: 1-[(2-chloro-4-fluorophenyl)methanesulfonyl]-3-{3-ethyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidine

T842-0843 Screening compound: 1-[(2-chloro-4-fluorophenyl)methanesulfonyl]-3-{3-ethyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidine
T842-0843 Screening compound: 1-[(2-chloro-4-fluorophenyl)methanesulfonyl]-3-{3-ethyl-3H-imidazo[4,5-c]pyridin-2-yl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-0843
1-[(2-chloro-4-fluorophenyl)methanesulfonyl]-3-{3-ethyl-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

T842-0843

Molecular Formula

C19H20ClFN4O2S (C19 H20 ClFN4 O2 S)

Compound Name

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

IUPAC name

1-[(2-chloro-4-fluorophenyl)methanesulfonyl]-3-{3-ethyl-3H-imidazo[45-c]pyridin-2-yl}pyrrolidine

SMILES

CCn1c(cncc2)c2nc1C(CC1)CN1S(Cc(ccc(F)c1)c1Cl)(=O)=O

InChI

InChI=1S/C19H20ClFN4O2S/c1-2-25-18-10-22-7-5-17(18)23-19(25)13-6-8-24(11-13)28(26,27)12-14-3-4-15(21)9-16(14)20/h3-5,7,9-10,13H,2,6,8,11-12H2,1H3

InChI Key

GLIDKTOIYCSUKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121713

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.623

Distribution Coefficient, logD

3.623

Water Solubility, LogSw

-3.82

Polar Surface Area

51.314

Acid Dissociation Constant (pKa)

20.14

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

T842-0843 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 T842-0843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-0843?
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What is the minimum amount of T842-0843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-0843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-0843
  • 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 T842-0843 available by request