T842-2472 Screening compound: 3-(2-METHOXYETHYL)-2-{1-[(2,3,5,6-TETRAMETHYLPHENYL)SULFONYL]TETRAHYDRO-1H-PYRROL-3-YL}-3H-IMIDAZO[4,5-C]PYRIDINE

T842-2472 Screening compound: 3-(2-METHOXYETHYL)-2-{1-[(2,3,5,6-TETRAMETHYLPHENYL)SULFONYL]TETRAHYDRO-1H-PYRROL-3-YL}-3H-IMIDAZO[4,5-C]PYRIDINE
T842-2472 Screening compound: 3-(2-METHOXYETHYL)-2-{1-[(2,3,5,6-TETRAMETHYLPHENYL)SULFONYL]TETRAHYDRO-1H-PYRROL-3-YL}-3H-IMIDAZO[4,5-C]PYRIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-2472
3-(2-METHOXYETHYL)-2-{1-[(2,3,5,6-TETRAMETHYLPHENYL)SULFONYL]TETRAHYDRO-1H-PYRROL-3-YL}-3H-IMIDAZO[4,5-C]PYRIDINE

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

T842-2472

Molecular Formula

C23H30N4O3S (C23 H30 N4 O3 S)

Compound Name

3-(2-METHOXYETHYL)-2-{1-[(2,3,5,6-TETRAMETHYLPHENYL)SULFONYL]TETRAHYDRO-1H-PYRROL-3-YL}-3H-IMIDAZO[4,5-C]PYRIDINE

IUPAC name

n/a

SMILES

Cc1c(C)c(S(N(CC2)CC2c2nc(ccnc3)c3n2CCOC)(=O)=O)c(C)c(C)c1

InChI

InChI=1S/C23H30N4O3S/c1-15-12-16(2)18(4)22(17(15)3)31(28,29)26-9-7-19(14-26)23-25-20-6-8-24-13-21(20)27(23)10-11-30-5/h6,8,12-13,19H,7,9-11,14H2,1-5H3/t19-/m1/s1

InChI Key

ZCUGCXIYEDNGGL-LJQANCHMSA-N

MDL Number (MFCD)

MFCD28121843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.113

Distribution Coefficient, logD

4.113

Water Solubility, LogSw

-3.98

Polar Surface Area

60.016

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

T842-2472 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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:
  • 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 T842-2472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-2472?
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What is the minimum amount of T842-2472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-2472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-2472
  • 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 T842-2472 available by request