T842-2040 Screening compound: 1-(3-methoxybenzenesulfonyl)-3-[3-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidine

T842-2040 Screening compound: 1-(3-methoxybenzenesulfonyl)-3-[3-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidine
T842-2040 Screening compound: 1-(3-methoxybenzenesulfonyl)-3-[3-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-2040
1-(3-methoxybenzenesulfonyl)-3-[3-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]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

T842-2040

Molecular Formula

C21H26N4O3S (C21 H26 N4 O3 S)

Compound Name

1-(3-methoxybenzenesulfonyl)-3-[3-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidine

IUPAC name

1-(3-methoxybenzenesulfonyl)-3-[3-(2-methylpropyl)-3H-imidazo[45-c]pyridin-2-yl]pyrrolidine

SMILES

CC(C)Cn1c(cncc2)c2nc1C(CC1)CN1S(c1cc(OC)ccc1)(=O)=O

InChI

InChI=1S/C21H26N4O3S/c1-15(2)13-25-20-12-22-9-7-19(20)23-21(25)16-8-10-24(14-16)29(26,27)18-6-4-5-17(11-18)28-3/h4-7,9,11-12,15-16H,8,10,13-14H2,1-3H3/t16-/m1/s1

InChI Key

YJLCGUUPBFDFLB-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD28121817

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.779

Distribution Coefficient, logD

3.778

Water Solubility, LogSw

-3.81

Polar Surface Area

59.239

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

T842-2040 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T842-2040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-2040?
Check Price and Availability of T842-2040, 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 T842-2040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-2040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-2040
  • 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 T842-2040 available by request