T829-1198 Screening compound: [5-(4-methoxybenzyl)-2-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridin-3-yl][2-(3-pyridyl)-1-pyrrolidinyl]methanone

T829-1198 Screening compound: [5-(4-methoxybenzyl)-2-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridin-3-yl][2-(3-pyridyl)-1-pyrrolidinyl]methanone
T829-1198 Screening compound: [5-(4-methoxybenzyl)-2-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridin-3-yl][2-(3-pyridyl)-1-pyrrolidinyl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T829-1198
[5-(4-methoxybenzyl)-2-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridin-3-yl][2-(3-pyridyl)-1-pyrrolidinyl]methanone

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

T829-1198

Molecular Formula

C26H29N3O3 (C26 H29 N3 O3)

Compound Name

[5-(4-methoxybenzyl)-2-methyl-4,5,6,7-tetrahydrofuro[3,2-c]pyridin-3-yl][2-(3-pyridyl)-1-pyrrolidinyl]methanone

IUPAC name

3-(1-{5-[(4-methoxyphenyl)methyl]-2-methyl-4H5H6H7H-furo[32-c]pyridine-3-carbonyl}pyrrolidin-2-yl)pyridine

SMILES

Cc1c(C(N(CCC2)C2c2cnccc2)=O)c(CN(Cc(cc2)ccc2OC)CC2)c2o1

InChI

InChI=1S/C26H29N3O3/c1-18-25(26(30)29-13-4-6-23(29)20-5-3-12-27-15-20)22-17-28(14-11-24(22)32-18)16-19-7-9-21(31-2)10-8-19/h3,5,7-10,12,15,23H,4,6,11,13-14,16-17H2,1-2H3/t23-/m0/s1

InChI Key

NZECVZPRQGUKTB-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD28994934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.671

Distribution Coefficient, logD

-1.804

Water Solubility, LogSw

-2.35

Polar Surface Area

45.359

Acid Dissociation Constant (pKa)

20.86

Base Dissociation Constant (pKb)

11.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.46

T829-1198 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)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T829-1198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T829-1198?
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What is the minimum amount of T829-1198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T829-1198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T829-1198
  • 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 T829-1198 available by request