T835-0556 Screening compound: 3-({3-ethyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-1-(3-fluoro-4-methylbenzoyl)pyrrolidine

T835-0556 Screening compound: 3-({3-ethyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-1-(3-fluoro-4-methylbenzoyl)pyrrolidine
T835-0556 Screening compound: 3-({3-ethyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-1-(3-fluoro-4-methylbenzoyl)pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T835-0556
3-({3-ethyl-3H-imidazo[4,5-b]pyridin-2-yl}methyl)-1-(3-fluoro-4-methylbenzoyl)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

T835-0556

Molecular Formula

C21H23FN4O (C21 H23 FN4 O)

Compound Name

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

IUPAC name

3-({3-ethyl-3H-imidazo[45-b]pyridin-2-yl}methyl)-1-(3-fluoro-4-methylbenzoyl)pyrrolidine

SMILES

CCn1c(nccc2)c2nc1CC(CC1)CN1C(c1cc(F)c(C)cc1)=O

InChI

InChI=1S/C21H23FN4O/c1-3-26-19(24-18-5-4-9-23-20(18)26)11-15-8-10-25(13-15)21(27)16-7-6-14(2)17(22)12-16/h4-7,9,12,15H,3,8,10-11,13H2,1-2H3/t15-/m0/s1

InChI Key

WLGOZEJVYBNYSN-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD28121524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

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

3.463

Distribution Coefficient, logD

3.462

Water Solubility, LogSw

-3.55

Polar Surface Area

37.722

Acid Dissociation Constant (pKa)

21.01

Base Dissociation Constant (pKb)

4.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

T835-0556 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T835-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T835-0556?
Check Price and Availability of T835-0556, 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 T835-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T835-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T835-0556
  • 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 T835-0556 available by request