F540-0118 Screening compound: 1-[4-(4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one

F540-0118 Screening compound: 1-[4-(4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one
F540-0118 Screening compound: 1-[4-(4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F540-0118
1-[4-(4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one

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

F540-0118

Molecular Formula

C21H25N3O4S2 (C21 H25 N3 O4 S2)

Compound Name

1-[4-(4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one

IUPAC name

1-[4-(4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazin-1-yl)phenyl]ethan-1-one

SMILES

CC(c(cc1)ccc1N(CC1)CCN1S(c1cc(C(N2CCCC2)=O)cs1)(=O)=O)=O

InChI

InChI=1S/C21H25N3O4S2/c1-16(25)17-4-6-19(7-5-17)22-10-12-24(13-11-22)30(27,28)20-14-18(15-29-20)21(26)23-8-2-3-9-23/h4-7,14-15H,2-3,8-13H2,1H3

InChI Key

BPKONPPUELPTHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.240

Distribution Coefficient, logD

2.240

Water Solubility, LogSw

-2.72

Polar Surface Area

67.069

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

F540-0118 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F540-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F540-0118?
Check Price and Availability of F540-0118, 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 F540-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F540-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F540-0118
  • 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 F540-0118 available by request