T842-0326 Screening compound: METHYL 3-({[3-(3-METHYL-3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1-PYRROLIDINYL]CARBONYL}AMINO)-3-PHENYLPROPANOATE

T842-0326 Screening compound: METHYL 3-({[3-(3-METHYL-3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1-PYRROLIDINYL]CARBONYL}AMINO)-3-PHENYLPROPANOATE
T842-0326 Screening compound: METHYL 3-({[3-(3-METHYL-3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1-PYRROLIDINYL]CARBONYL}AMINO)-3-PHENYLPROPANOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound T842-0326
METHYL 3-({[3-(3-METHYL-3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1-PYRROLIDINYL]CARBONYL}AMINO)-3-PHENYLPROPANOATE

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

T842-0326

Molecular Formula

C22H25N5O3 (C22 H25 N5 O3)

Compound Name

METHYL 3-({[3-(3-METHYL-3H-IMIDAZO[4,5-C]PYRIDIN-2-YL)-1-PYRROLIDINYL]CARBONYL}AMINO)-3-PHENYLPROPANOATE

IUPAC name

n/a

SMILES

Cn1c(cncc2)c2nc1C(CC1)CN1C(NC(CC(OC)=O)c1ccccc1)=O

InChI

InChI=1S/C22H25N5O3/c1-26-19-13-23-10-8-17(19)24-21(26)16-9-11-27(14-16)22(29)25-18(12-20(28)30-2)15-6-4-3-5-7-15/h3-8,10,13,16,18H,9,11-12,14H2,1-2H3,(H,25,29)

InChI Key

QASRHCNQMWJALN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28121688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.611

Distribution Coefficient, logD

2.600

Water Solubility, LogSw

-2.51

Polar Surface Area

67.795

Acid Dissociation Constant (pKa)

14.33

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

T842-0326 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with T842-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T842-0326?
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What is the minimum amount of T842-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T842-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T842-0326
  • 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 T842-0326 available by request