T835-2002 Screening compound: 4-[(3-{[3-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}pyrrolidin-1-yl)sulfonyl]benzonitrile

T835-2002 Screening compound: 4-[(3-{[3-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}pyrrolidin-1-yl)sulfonyl]benzonitrile
T835-2002 Screening compound: 4-[(3-{[3-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}pyrrolidin-1-yl)sulfonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T835-2002
4-[(3-{[3-(2-methylpropyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}pyrrolidin-1-yl)sulfonyl]benzonitrile

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

T835-2002

Molecular Formula

C22H25N5O2S (C22 H25 N5 O2 S)

Compound Name

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

IUPAC name

4-[(3-{[3-(2-methylpropyl)-3H-imidazo[45-b]pyridin-2-yl]methyl}pyrrolidin-1-yl)sulfonyl]benzonitrile

SMILES

CC(C)Cn1c(nccc2)c2nc1CC(CC1)CN1S(c(cc1)ccc1C#N)(=O)=O

InChI

InChI=1S/C22H25N5O2S/c1-16(2)14-27-21(25-20-4-3-10-24-22(20)27)12-18-9-11-26(15-18)30(28,29)19-7-5-17(13-23)6-8-19/h3-8,10,16,18H,9,11-12,14-15H2,1-2H3/t18-/m0/s1

InChI Key

XSQJZMTVXOBRIP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD28121595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.666

Distribution Coefficient, logD

3.666

Water Solubility, LogSw

-3.88

Polar Surface Area

70.117

Acid Dissociation Constant (pKa)

21.72

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

T835-2002 in Drug Discovery

Included in Screening Libraries

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 T835-2002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T835-2002?
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What is the minimum amount of T835-2002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T835-2002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T835-2002
  • 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 T835-2002 available by request