T842-0029 Screening compound: 2-(3-methoxyphenyl)-1-[3-(3-methyl-3H-imidazo[4,5-c]pyridin-2-yl)-1-pyrrolidinyl]-1-ethanone

T842-0029 Screening compound: 2-(3-methoxyphenyl)-1-[3-(3-methyl-3H-imidazo[4,5-c]pyridin-2-yl)-1-pyrrolidinyl]-1-ethanone
T842-0029 Screening compound: 2-(3-methoxyphenyl)-1-[3-(3-methyl-3H-imidazo[4,5-c]pyridin-2-yl)-1-pyrrolidinyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-0029
2-(3-methoxyphenyl)-1-[3-(3-methyl-3H-imidazo[4,5-c]pyridin-2-yl)-1-pyrrolidinyl]-1-ethanone

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

T842-0029

Molecular Formula

C20H22N4O2 (C20 H22 N4 O2)

Compound Name

2-(3-methoxyphenyl)-1-[3-(3-methyl-3H-imidazo[4,5-c]pyridin-2-yl)-1-pyrrolidinyl]-1-ethanone

IUPAC name

2-(3-methoxyphenyl)-1-(3-{3-methyl-3H-imidazo[45-c]pyridin-2-yl}pyrrolidin-1-yl)ethan-1-one

SMILES

Cn1c(cncc2)c2nc1C(CC1)CN1C(Cc1cc(OC)ccc1)=O

InChI

InChI=1S/C20H22N4O2/c1-23-18-12-21-8-6-17(18)22-20(23)15-7-9-24(13-15)19(25)11-14-4-3-5-16(10-14)26-2/h3-6,8,10,12,15H,7,9,11,13H2,1-2H3/t15-/m1/s1

InChI Key

KDMHRKFJIXFZNH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD28121619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.483

Distribution Coefficient, logD

2.458

Water Solubility, LogSw

-2.25

Polar Surface Area

44.459

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

T842-0029 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

PI3K-Targeted Library (17255 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T842-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-0029?
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What is the minimum amount of T842-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-0029
  • 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 T842-0029 available by request