T842-2016 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-3-[3-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidine

T842-2016 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-3-[3-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidine
T842-2016 Screening compound: 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-3-[3-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-2016
1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-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

T842-2016

Molecular Formula

C22H26N4O4S (C22 H26 N4 O4 S)

Compound Name

1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-3-[3-(2-methylpropyl)-3H-imidazo[4,5-c]pyridin-2-yl]pyrrolidine

IUPAC name

1-(23-dihydro-14-benzodioxine-6-sulfonyl)-3-[3-(2-methylpropyl)-3H-imidazo[45-c]pyridin-2-yl]pyrrolidine

SMILES

CC(C)Cn1c(cncc2)c2nc1C(CC1)CN1S(c(cc1)cc2c1OCCO2)(=O)=O

InChI

InChI=1S/C22H26N4O4S/c1-15(2)13-26-19-12-23-7-5-18(19)24-22(26)16-6-8-25(14-16)31(27,28)17-3-4-20-21(11-17)30-10-9-29-20/h3-5,7,11-12,15-16H,6,8-10,13-14H2,1-2H3/t16-/m1/s1

InChI Key

SGXMZBIFYWVSKE-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27624310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.844

Distribution Coefficient, logD

2.842

Water Solubility, LogSw

-2.97

Polar Surface Area

67.518

Acid Dissociation Constant (pKa)

24.82

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

T842-2016 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Nucleic Acid Ligands (8311 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with T842-2016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-2016?
Check Price and Availability of T842-2016, 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 T842-2016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-2016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-2016
  • 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 T842-2016 available by request