T499-1452 Screening compound: 3-{3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}-1-[4-(2-methylpropyl)benzenesulfonyl]pyrrolidine

T499-1452 Screening compound: 3-{3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}-1-[4-(2-methylpropyl)benzenesulfonyl]pyrrolidine
T499-1452 Screening compound: 3-{3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}-1-[4-(2-methylpropyl)benzenesulfonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T499-1452
3-{3-methyl-3H-imidazo[4,5-b]pyridin-2-yl}-1-[4-(2-methylpropyl)benzenesulfonyl]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

T499-1452

Molecular Formula

C21H26N4O2S (C21 H26 N4 O2 S)

Compound Name

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

IUPAC name

3-{3-methyl-3H-imidazo[45-b]pyridin-2-yl}-1-[4-(2-methylpropyl)benzenesulfonyl]pyrrolidine

SMILES

CC(C)Cc(cc1)ccc1S(N(CC1)CC1c(n1C)nc2c1nccc2)(=O)=O

InChI

InChI=1S/C21H26N4O2S/c1-15(2)13-16-6-8-18(9-7-16)28(26,27)25-12-10-17(14-25)20-23-19-5-4-11-22-21(19)24(20)3/h4-9,11,15,17H,10,12-14H2,1-3H3/t17-/m1/s1

InChI Key

RUTNCVYGZAFSTA-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD29025022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.937

Distribution Coefficient, logD

3.937

Water Solubility, LogSw

-3.88

Polar Surface Area

52.894

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

3.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

T499-1452 in Drug Discovery

Included in Screening Libraries

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

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 T499-1452 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T499-1452?
Check Price and Availability of T499-1452, 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 T499-1452 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T499-1452
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T499-1452
  • 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 T499-1452 available by request