F817-1990 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl}piperidine-4-carboxamide

F817-1990 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl}piperidine-4-carboxamide
F817-1990 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F817-1990
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl}piperidine-4-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

F817-1990

Molecular Formula

C21H25N3O6S2 (C21 H25 N3 O6 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl}piperidine-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-{[4-(dimethylcarbamoyl)thiophen-2-yl]sulfonyl}piperidine-4-carboxamide

SMILES

CN(C)C(c1csc(S(N(CC2)CCC2C(NCc(cc2)cc3c2OCO3)=O)(=O)=O)c1)=O

InChI

InChI=1S/C21H25N3O6S2/c1-23(2)21(26)16-10-19(31-12-16)32(27,28)24-7-5-15(6-8-24)20(25)22-11-14-3-4-17-18(9-14)30-13-29-17/h3-4,9-10,12,15H,5-8,11,13H2,1-2H3,(H,22,25)

InChI Key

FGQCJIBZBGJWHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.888

Distribution Coefficient, logD

0.888

Water Solubility, LogSw

-2.49

Polar Surface Area

90.497

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

-0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

F817-1990 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)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F817-1990 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F817-1990?
Check Price and Availability of F817-1990, 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 F817-1990 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F817-1990
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F817-1990
  • 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 F817-1990 available by request