T835-0211 Screening compound: 1-cycloheptyl-4-[3-({3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

T835-0211 Screening compound: 1-cycloheptyl-4-[3-({3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
T835-0211 Screening compound: 1-cycloheptyl-4-[3-({3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T835-0211
1-cycloheptyl-4-[3-({3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)pyrrolidine-1-carbonyl]pyrrolidin-2-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

T835-0211

Molecular Formula

C24H33N5O2 (C24 H33 N5 O2)

Compound Name

1-cycloheptyl-4-[3-({3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

IUPAC name

1-cycloheptyl-4-[3-({3-methyl-3H-imidazo[45-b]pyridin-2-yl}methyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one

SMILES

Cn1c(nccc2)c2nc1CC(CC1)CN1C(C(C1)CN(C2CCCCCC2)C1=O)=O

InChI

InChI=1S/C24H33N5O2/c1-27-21(26-20-9-6-11-25-23(20)27)13-17-10-12-28(15-17)24(31)18-14-22(30)29(16-18)19-7-4-2-3-5-8-19/h6,9,11,17-19H,2-5,7-8,10,12-16H2,1H3

InChI Key

KWKHXHPKENFIBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.691

Distribution Coefficient, logD

2.689

Water Solubility, LogSw

-2.58

Polar Surface Area

55.722

Acid Dissociation Constant (pKa)

16.22

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.70

T835-0211 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with T835-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T835-0211?
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What is the minimum amount of T835-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T835-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T835-0211
  • 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 T835-0211 available by request