T368-0086 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-3-{2-propyl-3H-imidazo[4,5-b]pyridin-3-yl}pyrrolidine

T368-0086 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-3-{2-propyl-3H-imidazo[4,5-b]pyridin-3-yl}pyrrolidine
T368-0086 Screening compound: 1-(2H-1,3-benzodioxole-5-carbonyl)-3-{2-propyl-3H-imidazo[4,5-b]pyridin-3-yl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T368-0086
1-(2H-1,3-benzodioxole-5-carbonyl)-3-{2-propyl-3H-imidazo[4,5-b]pyridin-3-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

T368-0086

Molecular Formula

C21H22N4O3 (C21 H22 N4 O3)

Compound Name

1-(2H-1,3-benzodioxole-5-carbonyl)-3-{2-propyl-3H-imidazo[4,5-b]pyridin-3-yl}pyrrolidine

IUPAC name

1-(2H-13-benzodioxole-5-carbonyl)-3-{2-propyl-3H-imidazo[45-b]pyridin-3-yl}pyrrolidine

SMILES

CCCc1nc2cccnc2n1C(CC1)CN1C(c(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C21H22N4O3/c1-2-4-19-23-16-5-3-9-22-20(16)25(19)15-8-10-24(12-15)21(26)14-6-7-17-18(11-14)28-13-27-17/h3,5-7,9,11,15H,2,4,8,10,12-13H2,1H3/t15-/m1/s1

InChI Key

PNCOGRSIXOMWOD-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD29023225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.43

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

2.728

Distribution Coefficient, logD

2.728

Water Solubility, LogSw

-2.84

Polar Surface Area

55.497

Acid Dissociation Constant (pKa)

18.85

Base Dissociation Constant (pKb)

2.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

T368-0086 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T368-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T368-0086?
Check Price and Availability of T368-0086, 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 T368-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T368-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T368-0086
  • 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 T368-0086 available by request