F540-0147 Screening compound: 8-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}-1,4-dioxa-8-azaspiro[4.5]decane

F540-0147 Screening compound: 8-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}-1,4-dioxa-8-azaspiro[4.5]decane
F540-0147 Screening compound: 8-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound F540-0147
8-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}-1,4-dioxa-8-azaspiro[4.5]decane

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

F540-0147

Molecular Formula

C16H22N2O5S2 (C16 H22 N2 O5 S2)

Compound Name

8-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(c1csc(S(N(CC2)CCC22OCCO2)(=O)=O)c1)N1CCCC1

InChI

InChI=1S/C16H22N2O5S2/c19-15(17-5-1-2-6-17)13-11-14(24-12-13)25(20,21)18-7-3-16(4-8-18)22-9-10-23-16/h11-12H,1-10H2

InChI Key

PMHXIVYPOZVWQR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.270

Distribution Coefficient, logD

1.270

Water Solubility, LogSw

-1.99

Polar Surface Area

64.419

Acid Dissociation Constant (pKa)

27.46

Base Dissociation Constant (pKb)

-5.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.80

F540-0147 in Drug Discovery

Included in Screening Libraries

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

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F540-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F540-0147?
Check Price and Availability of F540-0147, 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 F540-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F540-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F540-0147
  • 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 F540-0147 available by request