F708-0554 Screening compound: N~4~-(1,3-benzodioxol-5-ylmethyl)-N~1~-(2-furylmethyl)-4-methyltetrahydro-1,4(2H)-pyridinedicarboxamide

F708-0554 Screening compound: N~4~-(1,3-benzodioxol-5-ylmethyl)-N~1~-(2-furylmethyl)-4-methyltetrahydro-1,4(2H)-pyridinedicarboxamide
F708-0554 Screening compound: N~4~-(1,3-benzodioxol-5-ylmethyl)-N~1~-(2-furylmethyl)-4-methyltetrahydro-1,4(2H)-pyridinedicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F708-0554
N~4~-(1,3-benzodioxol-5-ylmethyl)-N~1~-(2-furylmethyl)-4-methyltetrahydro-1,4(2H)-pyridinedicarboxamide

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

F708-0554

Molecular Formula

C21H25N3O5 (C21 H25 N3 O5)

Compound Name

N~4~-(1,3-benzodioxol-5-ylmethyl)-N~1~-(2-furylmethyl)-4-methyltetrahydro-1,4(2H)-pyridinedicarboxamide

IUPAC name

n/a

SMILES

CC(CC1)(CCN1C(NCc1ccco1)=O)C(NCc(cc1)cc2c1OCO2)=O

InChI

InChI=1S/C21H25N3O5/c1-21(19(25)22-12-15-4-5-17-18(11-15)29-14-28-17)6-8-24(9-7-21)20(26)23-13-16-3-2-10-27-16/h2-5,10-11H,6-9,12-14H2,1H3,(H,22,25)(H,23,26)

InChI Key

QEACYORJZHEGSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27186788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.343

Distribution Coefficient, logD

2.343

Water Solubility, LogSw

-2.84

Polar Surface Area

76.307

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F708-0554 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F708-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F708-0554?
Check Price and Availability of F708-0554, 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 F708-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F708-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F708-0554
  • 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 F708-0554 available by request