F540-0063 Screening compound: 1-(diphenylmethyl)-4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazine

F540-0063 Screening compound: 1-(diphenylmethyl)-4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazine
F540-0063 Screening compound: 1-(diphenylmethyl)-4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound F540-0063
1-(diphenylmethyl)-4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazine

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

F540-0063

Molecular Formula

C26H29N3O3S2 (C26 H29 N3 O3 S2)

Compound Name

1-(diphenylmethyl)-4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazine

IUPAC name

1-(diphenylmethyl)-4-{[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonyl}piperazine

SMILES

O=C(c1csc(S(N(CC2)CCN2C(c2ccccc2)c2ccccc2)(=O)=O)c1)N1CCCC1

InChI

InChI=1S/C26H29N3O3S2/c30-26(28-13-7-8-14-28)23-19-24(33-20-23)34(31,32)29-17-15-27(16-18-29)25(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-6,9-12,19-20,25H,7-8,13-18H2

InChI Key

LBGMGUPVGWTIMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27174079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.202

Distribution Coefficient, logD

4.201

Water Solubility, LogSw

-4.19

Polar Surface Area

52.543

Acid Dissociation Constant (pKa)

25.05

Base Dissociation Constant (pKb)

4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

F540-0063 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F540-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F540-0063?
Check Price and Availability of F540-0063, 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 F540-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F540-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F540-0063
  • 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 F540-0063 available by request