T842-1805 Screening compound: 1-(5-chloro-2-methoxybenzoyl)-3-[3-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidine

T842-1805 Screening compound: 1-(5-chloro-2-methoxybenzoyl)-3-[3-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidine
T842-1805 Screening compound: 1-(5-chloro-2-methoxybenzoyl)-3-[3-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-1805
1-(5-chloro-2-methoxybenzoyl)-3-[3-(2-methylpropyl)-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

T842-1805

Molecular Formula

C22H25ClN4O2 (C22 H25 ClN4 O2)

Compound Name

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

IUPAC name

1-(5-chloro-2-methoxybenzoyl)-3-[3-(2-methylpropyl)-3H-imidazo[45-c]pyridin-2-yl]pyrrolidine

SMILES

CC(C)Cn1c(cncc2)c2nc1C(CC1)CN1C(c(cc(cc1)Cl)c1OC)=O

InChI

InChI=1S/C22H25ClN4O2/c1-14(2)12-27-19-11-24-8-6-18(19)25-21(27)15-7-9-26(13-15)22(28)17-10-16(23)4-5-20(17)29-3/h4-6,8,10-11,14-15H,7,9,12-13H2,1-3H3/t15-/m1/s1

InChI Key

UZADTJRRRVWJCZ-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD28121792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.92

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.213

Distribution Coefficient, logD

4.212

Water Solubility, LogSw

-4.58

Polar Surface Area

44.263

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

T842-1805 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

CNS BBB Library (22607 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:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T842-1805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-1805?
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What is the minimum amount of T842-1805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-1805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-1805
  • 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 T842-1805 available by request