T842-2418 Screening compound: 3-[3-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(thiophene-2-sulfonyl)pyrrolidine

T842-2418 Screening compound: 3-[3-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(thiophene-2-sulfonyl)pyrrolidine
T842-2418 Screening compound: 3-[3-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(thiophene-2-sulfonyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-2418
3-[3-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(thiophene-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

T842-2418

Molecular Formula

C17H20N4O3S2 (C17 H20 N4 O3 S2)

Compound Name

3-[3-(2-methoxyethyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(thiophene-2-sulfonyl)pyrrolidine

IUPAC name

3-[3-(2-methoxyethyl)-3H-imidazo[45-c]pyridin-2-yl]-1-(thiophene-2-sulfonyl)pyrrolidine

SMILES

COCCn1c(cncc2)c2nc1C(CC1)CN1S(c1cccs1)(=O)=O

InChI

InChI=1S/C17H20N4O3S2/c1-24-9-8-21-15-11-18-6-4-14(15)19-17(21)13-5-7-20(12-13)26(22,23)16-3-2-10-25-16/h2-4,6,10-11,13H,5,7-9,12H2,1H3/t13-/m1/s1

InChI Key

JMZMURQZXXKWSC-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD28121833

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

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

2.087

Distribution Coefficient, logD

2.086

Water Solubility, LogSw

-1.98

Polar Surface Area

61.034

Acid Dissociation Constant (pKa)

24.97

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

T842-2418 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T842-2418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-2418?
Check Price and Availability of T842-2418, 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 T842-2418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-2418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-2418
  • 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 T842-2418 available by request