F817-1613 Screening compound: 1-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}-N-cyclooctylpiperidine-4-carboxamide

F817-1613 Screening compound: 1-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}-N-cyclooctylpiperidine-4-carboxamide
F817-1613 Screening compound: 1-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}-N-cyclooctylpiperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F817-1613
1-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}-N-cyclooctylpiperidine-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

F817-1613

Molecular Formula

C25H39N3O4S2 (C25 H39 N3 O4 S2)

Compound Name

1-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}-N-cyclooctylpiperidine-4-carboxamide

IUPAC name

1-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}-N-cyclooctylpiperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1S(c1cc(C(N2CCCCCC2)=O)cs1)(=O)=O)NC1CCCCCCC1

InChI

InChI=1S/C25H39N3O4S2/c29-24(26-22-10-6-2-1-3-7-11-22)20-12-16-28(17-13-20)34(31,32)23-18-21(19-33-23)25(30)27-14-8-4-5-9-15-27/h18-20,22H,1-17H2,(H,26,29)

InChI Key

SAKVADDOCNHIDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27194867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.73

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.229

Distribution Coefficient, logD

4.229

Water Solubility, LogSw

-4.02

Polar Surface Area

74.417

Acid Dissociation Constant (pKa)

14.37

Base Dissociation Constant (pKb)

1.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.00

F817-1613 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 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 F817-1613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F817-1613?
Check Price and Availability of F817-1613, 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 F817-1613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F817-1613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F817-1613
  • 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 F817-1613 available by request