T499-0017 Screening compound: 3-{3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}-1-(thiophene-3-carbonyl)pyrrolidine

T499-0017 Screening compound: 3-{3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}-1-(thiophene-3-carbonyl)pyrrolidine
T499-0017 Screening compound: 3-{3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}-1-(thiophene-3-carbonyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T499-0017
3-{3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}-1-(thiophene-3-carbonyl)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

T499-0017

Molecular Formula

C16H16N4OS (C16 H16 N4 OS)

Compound Name

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

IUPAC name

3-{3-methyl-3H-imidazo[45-b]pyridin-2-yl}-1-(thiophene-3-carbonyl)pyrrolidine

SMILES

Cn1c(nccc2)c2nc1C(CC1)CN1C(c1cscc1)=O

InChI

InChI=1S/C16H16N4OS/c1-19-14(18-13-3-2-6-17-15(13)19)11-4-7-20(9-11)16(21)12-5-8-22-10-12/h2-3,5-6,8,10-11H,4,7,9H2,1H3

InChI Key

JCXSITNYYBWEOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29024874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.830

Distribution Coefficient, logD

1.830

Water Solubility, LogSw

-2.03

Polar Surface Area

38.850

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

T499-0017 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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 T499-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T499-0017?
Check Price and Availability of T499-0017, 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 T499-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T499-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T499-0017
  • 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 T499-0017 available by request