T842-2065 Screening compound: 2-{1-[(4-ETHOXYPHENYL)SULFONYL]TETRAHYDRO-1H-PYRROL-3-YL}-3-ISOBUTYL-3H-IMIDAZO[4,5-C]PYRIDINE

T842-2065 Screening compound: 2-{1-[(4-ETHOXYPHENYL)SULFONYL]TETRAHYDRO-1H-PYRROL-3-YL}-3-ISOBUTYL-3H-IMIDAZO[4,5-C]PYRIDINE
T842-2065 Screening compound: 2-{1-[(4-ETHOXYPHENYL)SULFONYL]TETRAHYDRO-1H-PYRROL-3-YL}-3-ISOBUTYL-3H-IMIDAZO[4,5-C]PYRIDINE alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-2065
2-{1-[(4-ETHOXYPHENYL)SULFONYL]TETRAHYDRO-1H-PYRROL-3-YL}-3-ISOBUTYL-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

T842-2065

Molecular Formula

C22H28N4O3S (C22 H28 N4 O3 S)

Compound Name

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

IUPAC name

n/a

SMILES

CCOc(cc1)ccc1S(N(CC1)CC1c1nc(ccnc2)c2n1CC(C)C)(=O)=O

InChI

InChI=1S/C22H28N4O3S/c1-4-29-18-5-7-19(8-6-18)30(27,28)25-12-10-17(15-25)22-24-20-9-11-23-13-21(20)26(22)14-16(2)3/h5-9,11,13,16-17H,4,10,12,14-15H2,1-3H3/t17-/m1/s1

InChI Key

CHWPLLRZYYEZHO-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD28121820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.169

Distribution Coefficient, logD

4.167

Water Solubility, LogSw

-3.82

Polar Surface Area

58.819

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

T842-2065 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 T842-2065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-2065?
Check Price and Availability of T842-2065, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of T842-2065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-2065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-2065
  • 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 T842-2065 available by request