F540-1702 Screening compound: 1'-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}-1,4'-bipiperidine

F540-1702 Screening compound: 1'-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}-1,4'-bipiperidine
F540-1702 Screening compound: 1'-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}-1,4'-bipiperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound F540-1702
1'-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}-1,4'-bipiperidine

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

F540-1702

Molecular Formula

C21H33N3O3S2 (C21 H33 N3 O3 S2)

Compound Name

1'-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}-1,4'-bipiperidine

IUPAC name

1'-{[4-(azepane-1-carbonyl)thiophen-2-yl]sulfonyl}-14'-bipiperidine

SMILES

O=C(c1csc(S(N(CC2)CCC2N2CCCCC2)(=O)=O)c1)N1CCCCCC1

InChI

InChI=1S/C21H33N3O3S2/c25-21(23-12-4-1-2-5-13-23)18-16-20(28-17-18)29(26,27)24-14-8-19(9-15-24)22-10-6-3-7-11-22/h16-17,19H,1-15H2

InChI Key

BAYQRRXDTDLLRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14958526

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.131

Distribution Coefficient, logD

0.872

Water Solubility, LogSw

-3.31

Polar Surface Area

53.040

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

9.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

76.20

F540-1702 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F540-1702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F540-1702?
Check Price and Availability of F540-1702, 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 F540-1702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F540-1702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F540-1702
  • 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 F540-1702 available by request