T829-0838 Screening compound: methyl 1-{2-methyl-5-[(4-methylphenyl)methyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}pyrrolidine-2-carboxylate

T829-0838 Screening compound: methyl 1-{2-methyl-5-[(4-methylphenyl)methyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}pyrrolidine-2-carboxylate
T829-0838 Screening compound: methyl 1-{2-methyl-5-[(4-methylphenyl)methyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}pyrrolidine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound T829-0838
methyl 1-{2-methyl-5-[(4-methylphenyl)methyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}pyrrolidine-2-carboxylate

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

T829-0838

Molecular Formula

C23H28N2O4 (C23 H28 N2 O4)

Compound Name

methyl 1-{2-methyl-5-[(4-methylphenyl)methyl]-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carbonyl}pyrrolidine-2-carboxylate

IUPAC name

methyl 1-{2-methyl-5-[(4-methylphenyl)methyl]-4H5H6H7H-furo[32-c]pyridine-3-carbonyl}pyrrolidine-2-carboxylate

SMILES

Cc1c(C(N(CCC2)C2C(OC)=O)=O)c(CN(Cc2ccc(C)cc2)CC2)c2o1

InChI

InChI=1S/C23H28N2O4/c1-15-6-8-17(9-7-15)13-24-12-10-20-18(14-24)21(16(2)29-20)22(26)25-11-4-5-19(25)23(27)28-3/h6-9,19H,4-5,10-14H2,1-3H3/t19-/m0/s1

InChI Key

IWPQHRISWGBVQE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD28995041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.710

Distribution Coefficient, logD

-2.567

Water Solubility, LogSw

-2.81

Polar Surface Area

49.742

Acid Dissociation Constant (pKa)

18.58

Base Dissociation Constant (pKb)

12.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.80

T829-0838 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 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
  • Antiviral
  • Infections
  • Immune system
  • 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 T829-0838 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T829-0838?
Check Price and Availability of T829-0838, 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 T829-0838 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T829-0838
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T829-0838
  • 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 T829-0838 available by request