T499-2096 Screening compound: 1-[(4-ethoxyphenyl)methyl]-3-{3-propyl-3H-imidazo[4,5-b]pyridin-2-yl}pyrrolidine

T499-2096 Screening compound: 1-[(4-ethoxyphenyl)methyl]-3-{3-propyl-3H-imidazo[4,5-b]pyridin-2-yl}pyrrolidine
T499-2096 Screening compound: 1-[(4-ethoxyphenyl)methyl]-3-{3-propyl-3H-imidazo[4,5-b]pyridin-2-yl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T499-2096
1-[(4-ethoxyphenyl)methyl]-3-{3-propyl-3H-imidazo[4,5-b]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

T499-2096

Molecular Formula

C22H28N4O (C22 H28 N4 O)

Compound Name

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

IUPAC name

n/a

SMILES

CCCn1c(nccc2)c2nc1C1CN(Cc(cc2)ccc2OCC)CC1

InChI

InChI=1S/C22H28N4O/c1-3-13-26-21(24-20-6-5-12-23-22(20)26)18-11-14-25(16-18)15-17-7-9-19(10-8-17)27-4-2/h5-10,12,18H,3-4,11,13-16H2,1-2H3/t18-/m1/s1

InChI Key

DUDLGJTUSYELGZ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD29024712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.917

Distribution Coefficient, logD

3.162

Water Solubility, LogSw

-3.72

Polar Surface Area

31.208

Acid Dissociation Constant (pKa)

21.95

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

T499-2096 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 T499-2096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T499-2096?
Check Price and Availability of T499-2096, 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 T499-2096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T499-2096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T499-2096
  • 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 T499-2096 available by request