T835-2116 Screening compound: 2-(4-chlorophenyl)-1-(3-{[3-(2-methoxyethyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}pyrrolidin-1-yl)ethan-1-one

T835-2116 Screening compound: 2-(4-chlorophenyl)-1-(3-{[3-(2-methoxyethyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}pyrrolidin-1-yl)ethan-1-one
T835-2116 Screening compound: 2-(4-chlorophenyl)-1-(3-{[3-(2-methoxyethyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T835-2116
2-(4-chlorophenyl)-1-(3-{[3-(2-methoxyethyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}pyrrolidin-1-yl)ethan-1-one

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

T835-2116

Molecular Formula

C22H25ClN4O2 (C22 H25 ClN4 O2)

Compound Name

2-(4-chlorophenyl)-1-(3-{[3-(2-methoxyethyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-(4-chlorophenyl)-1-(3-{[3-(2-methoxyethyl)-3H-imidazo[45-b]pyridin-2-yl]methyl}pyrrolidin-1-yl)ethan-1-one

SMILES

COCCn1c(nccc2)c2nc1CC(CC1)CN1C(Cc(cc1)ccc1Cl)=O

InChI

InChI=1S/C22H25ClN4O2/c1-29-12-11-27-20(25-19-3-2-9-24-22(19)27)13-17-8-10-26(15-17)21(28)14-16-4-6-18(23)7-5-16/h2-7,9,17H,8,10-15H2,1H3/t17-/m0/s1

InChI Key

JWWJVTYYSFVZDO-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD28121600

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

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.356

Distribution Coefficient, logD

3.356

Water Solubility, LogSw

-3.54

Polar Surface Area

45.791

Acid Dissociation Constant (pKa)

17.74

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

T835-2116 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T835-2116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T835-2116?
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What is the minimum amount of T835-2116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T835-2116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T835-2116
  • 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 T835-2116 available by request