T829-1698 Screening compound: N-cyclopentyl-5-[(3-fluorophenyl)methyl]-2-methyl-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carboxamide

T829-1698 Screening compound: N-cyclopentyl-5-[(3-fluorophenyl)methyl]-2-methyl-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carboxamide
T829-1698 Screening compound: N-cyclopentyl-5-[(3-fluorophenyl)methyl]-2-methyl-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T829-1698
N-cyclopentyl-5-[(3-fluorophenyl)methyl]-2-methyl-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

T829-1698

Molecular Formula

C21H25FN2O2 (C21 H25 FN2 O2)

Compound Name

N-cyclopentyl-5-[(3-fluorophenyl)methyl]-2-methyl-4H,5H,6H,7H-furo[3,2-c]pyridine-3-carboxamide

IUPAC name

N-cyclopentyl-5-[(3-fluorophenyl)methyl]-2-methyl-4H5H6H7H-furo[32-c]pyridine-3-carboxamide

SMILES

Cc1c(C(NC2CCCC2)=O)c(CN(Cc2cccc(F)c2)CC2)c2o1

InChI

InChI=1S/C21H25FN2O2/c1-14-20(21(25)23-17-7-2-3-8-17)18-13-24(10-9-19(18)26-14)12-15-5-4-6-16(22)11-15/h4-6,11,17H,2-3,7-10,12-13H2,1H3,(H,23,25)

InChI Key

SOSFWUSYPSVXOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28995250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.424

Distribution Coefficient, logD

-0.334

Water Solubility, LogSw

-3.87

Polar Surface Area

36.365

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

11.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

T829-1698 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T829-1698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T829-1698?
Check Price and Availability of T829-1698, 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 T829-1698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T829-1698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T829-1698
  • 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 T829-1698 available by request