T842-0095 Screening compound: 1-[3-(3-methyl-3H-imidazo[4,5-c]pyridin-2-yl)-1-pyrrolidinyl]-4-phenyl-1-butanone

T842-0095 Screening compound: 1-[3-(3-methyl-3H-imidazo[4,5-c]pyridin-2-yl)-1-pyrrolidinyl]-4-phenyl-1-butanone
T842-0095 Screening compound: 1-[3-(3-methyl-3H-imidazo[4,5-c]pyridin-2-yl)-1-pyrrolidinyl]-4-phenyl-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-0095
1-[3-(3-methyl-3H-imidazo[4,5-c]pyridin-2-yl)-1-pyrrolidinyl]-4-phenyl-1-butanone

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

T842-0095

Molecular Formula

C21H24N4O (C21 H24 N4 O)

Compound Name

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

IUPAC name

1-(3-{3-methyl-3H-imidazo[45-c]pyridin-2-yl}pyrrolidin-1-yl)-4-phenylbutan-1-one

SMILES

Cn1c(cncc2)c2nc1C(CC1)CN1C(CCCc1ccccc1)=O

InChI

InChI=1S/C21H24N4O/c1-24-19-14-22-12-10-18(19)23-21(24)17-11-13-25(15-17)20(26)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10,12,14,17H,5,8-9,11,13,15H2,1H3/t17-/m1/s1

InChI Key

HYMYSXUMBRUORA-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD28121645

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.272

Distribution Coefficient, logD

3.247

Water Solubility, LogSw

-3.00

Polar Surface Area

36.915

Acid Dissociation Constant (pKa)

22.21

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

T842-0095 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 T842-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-0095?
Check Price and Availability of T842-0095, 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 T842-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-0095
  • 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 T842-0095 available by request