T829-1616 Screening compound: 5-(3-fluorobenzyl)-2-methyl-N~3~-(3-morpholinopropyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carboxamide

T829-1616 Screening compound: 5-(3-fluorobenzyl)-2-methyl-N~3~-(3-morpholinopropyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carboxamide
T829-1616 Screening compound: 5-(3-fluorobenzyl)-2-methyl-N~3~-(3-morpholinopropyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T829-1616
5-(3-fluorobenzyl)-2-methyl-N~3~-(3-morpholinopropyl)-4,5,6,7-tetrahydrofuro[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

T829-1616

Molecular Formula

C23H30FN3O3 (C23 H30 FN3 O3)

Compound Name

5-(3-fluorobenzyl)-2-methyl-N~3~-(3-morpholinopropyl)-4,5,6,7-tetrahydrofuro[3,2-c]pyridine-3-carboxamide

IUPAC name

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

SMILES

Cc1c(C(NCCCN2CCOCC2)=O)c(CN(Cc2cccc(F)c2)CC2)c2o1

InChI

InChI=1S/C23H30FN3O3/c1-17-22(23(28)25-7-3-8-26-10-12-29-13-11-26)20-16-27(9-6-21(20)30-17)15-18-4-2-5-19(24)14-18/h2,4-5,14H,3,6-13,15-16H2,1H3,(H,25,28)

InChI Key

VXOKEZXLAQYYSG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.800

Distribution Coefficient, logD

-1.958

Water Solubility, LogSw

-2.21

Polar Surface Area

48.006

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

11.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.17

T829-1616 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with T829-1616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T829-1616?
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What is the minimum amount of T829-1616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T829-1616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T829-1616
  • 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 T829-1616 available by request