T829-0946 Screening compound: 2-methyl-5-[(4-methylphenyl)methyl]-N-[3-(1H-pyrazol-1-yl)propyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carboxamide

T829-0946 Screening compound: 2-methyl-5-[(4-methylphenyl)methyl]-N-[3-(1H-pyrazol-1-yl)propyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carboxamide
T829-0946 Screening compound: 2-methyl-5-[(4-methylphenyl)methyl]-N-[3-(1H-pyrazol-1-yl)propyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T829-0946
2-methyl-5-[(4-methylphenyl)methyl]-N-[3-(1H-pyrazol-1-yl)propyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carboxamide

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

T829-0946

Molecular Formula

C23H28N4O2 (C23 H28 N4 O2)

Compound Name

2-methyl-5-[(4-methylphenyl)methyl]-N-[3-(1H-pyrazol-1-yl)propyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carboxamide

IUPAC name

2-methyl-5-[(4-methylphenyl)methyl]-N-[3-(1H-pyrazol-1-yl)propyl]-4H5H6H7H-furo[32-c]pyridine-3-carboxamide

SMILES

Cc1c(C(NCCCn2nccc2)=O)c(CN(Cc2ccc(C)cc2)CC2)c2o1

InChI

InChI=1S/C23H28N4O2/c1-17-5-7-19(8-6-17)15-26-14-9-21-20(16-26)22(18(2)29-21)23(28)24-10-3-12-27-13-4-11-25-27/h4-8,11,13H,3,9-10,12,14-16H2,1-2H3,(H,24,28)

InChI Key

VJDKFVPWZXAOLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28995067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.261

Distribution Coefficient, logD

-2.299

Water Solubility, LogSw

-2.71

Polar Surface Area

50.888

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

11.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

T829-0946 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with T829-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T829-0946?
Check Price and Availability of T829-0946, 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 T829-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T829-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T829-0946
  • 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 T829-0946 available by request