T499-0172 Screening compound: 3-{3-ethyl-3H-imidazo[4,5-b]pyridin-2-yl}-1-[3-(trifluoromethyl)benzoyl]pyrrolidine

T499-0172 Screening compound: 3-{3-ethyl-3H-imidazo[4,5-b]pyridin-2-yl}-1-[3-(trifluoromethyl)benzoyl]pyrrolidine
T499-0172 Screening compound: 3-{3-ethyl-3H-imidazo[4,5-b]pyridin-2-yl}-1-[3-(trifluoromethyl)benzoyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T499-0172
3-{3-ethyl-3H-imidazo[4,5-b]pyridin-2-yl}-1-[3-(trifluoromethyl)benzoyl]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

T499-0172

Molecular Formula

C20H19F3N4O (C20 H19 F3 N4 O)

Compound Name

3-{3-ethyl-3H-imidazo[4,5-b]pyridin-2-yl}-1-[3-(trifluoromethyl)benzoyl]pyrrolidine

IUPAC name

3-{3-ethyl-3H-imidazo[45-b]pyridin-2-yl}-1-[3-(trifluoromethyl)benzoyl]pyrrolidine

SMILES

CCn1c(nccc2)c2nc1C(CC1)CN1C(c1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C20H19F3N4O/c1-2-27-17(25-16-7-4-9-24-18(16)27)14-8-10-26(12-14)19(28)13-5-3-6-15(11-13)20(21,22)23/h3-7,9,11,14H,2,8,10,12H2,1H3/t14-/m1/s1

InChI Key

VFCGWTONFMNKHB-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27622130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-3.36

Polar Surface Area

36.746

Acid Dissociation Constant (pKa)

21.59

Base Dissociation Constant (pKb)

3.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

T499-0172 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)

Epigenetics Focused Set (26518 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 T499-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T499-0172?
Check Price and Availability of T499-0172, 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 T499-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T499-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T499-0172
  • 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 T499-0172 available by request