T835-0388 Screening compound: 3-({3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidine

T835-0388 Screening compound: 3-({3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidine
T835-0388 Screening compound: 3-({3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T835-0388
3-({3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)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

T835-0388

Molecular Formula

C22H26N4O2S (C22 H26 N4 O2 S)

Compound Name

3-({3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-1-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)pyrrolidine

IUPAC name

3-({3-methyl-3H-imidazo[45-b]pyridin-2-yl}methyl)-1-(5678-tetrahydronaphthalene-2-sulfonyl)pyrrolidine

SMILES

Cn1c(nccc2)c2nc1CC(CC1)CN1S(c1cc(CCCC2)c2cc1)(=O)=O

InChI

InChI=1S/C22H26N4O2S/c1-25-21(24-20-7-4-11-23-22(20)25)13-16-10-12-26(15-16)29(27,28)19-9-8-17-5-2-3-6-18(17)14-19/h4,7-9,11,14,16H,2-3,5-6,10,12-13,15H2,1H3/t16-/m0/s1

InChI Key

IKLLZCPTIOMJBN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD28121512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.845

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-3.88

Polar Surface Area

53.791

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

T835-0388 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T835-0388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T835-0388?
Check Price and Availability of T835-0388, 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 T835-0388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T835-0388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T835-0388
  • 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 T835-0388 available by request