T835-2112 Screening compound: 1-(5-chloro-2-methoxybenzoyl)-3-{[3-(2-methoxyethyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}pyrrolidine

T835-2112 Screening compound: 1-(5-chloro-2-methoxybenzoyl)-3-{[3-(2-methoxyethyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}pyrrolidine
T835-2112 Screening compound: 1-(5-chloro-2-methoxybenzoyl)-3-{[3-(2-methoxyethyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T835-2112
1-(5-chloro-2-methoxybenzoyl)-3-{[3-(2-methoxyethyl)-3H-imidazo[4,5-b]pyridin-2-yl]methyl}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

T835-2112

Molecular Formula

C22H25ClN4O3 (C22 H25 ClN4 O3)

Compound Name

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

IUPAC name

1-(5-chloro-2-methoxybenzoyl)-3-{[3-(2-methoxyethyl)-3H-imidazo[45-b]pyridin-2-yl]methyl}pyrrolidine

SMILES

COCCn1c(nccc2)c2nc1CC(CC1)CN1C(c(cc(cc1)Cl)c1OC)=O

InChI

InChI=1S/C22H25ClN4O3/c1-29-11-10-27-20(25-18-4-3-8-24-21(18)27)12-15-7-9-26(14-15)22(28)17-13-16(23)5-6-19(17)30-2/h3-6,8,13,15H,7,9-12,14H2,1-2H3/t15-/m0/s1

InChI Key

XPRJSPJQNGOVEG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD28121599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.106

Distribution Coefficient, logD

3.106

Water Solubility, LogSw

-3.35

Polar Surface Area

53.949

Acid Dissociation Constant (pKa)

20.72

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

T835-2112 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T835-2112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T835-2112?
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What is the minimum amount of T835-2112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T835-2112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T835-2112
  • 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 T835-2112 available by request