T842-0183 Screening compound: 3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrrolidine

T842-0183 Screening compound: 3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrrolidine
T842-0183 Screening compound: 3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-0183
3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)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

T842-0183

Molecular Formula

C20H22N4OS (C20 H22 N4 OS)

Compound Name

3-{3-methyl-3H-imidazo[4,5-c]pyridin-2-yl}-1-(4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)pyrrolidine

IUPAC name

3-{3-methyl-3H-imidazo[45-c]pyridin-2-yl}-1-(4567-tetrahydro-1-benzothiophene-2-carbonyl)pyrrolidine

SMILES

Cn1c(cncc2)c2nc1C(CC1)CN1C(c1cc(CCCC2)c2s1)=O

InChI

InChI=1S/C20H22N4OS/c1-23-16-11-21-8-6-15(16)22-19(23)14-7-9-24(12-14)20(25)18-10-13-4-2-3-5-17(13)26-18/h6,8,10-11,14H,2-5,7,9,12H2,1H3/t14-/m1/s1

InChI Key

BQSVJIKIFSQNNZ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD28121668

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.49

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

3.423

Distribution Coefficient, logD

3.412

Water Solubility, LogSw

-3.39

Polar Surface Area

38.382

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

5.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

T842-0183 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T842-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-0183?
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What is the minimum amount of T842-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-0183
  • 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 T842-0183 available by request