E534-0097 Screening compound: 1-[(4,5-dimethylthiophen-3-yl)methyl]-4-(furan-2-carbonyl)piperazine

E534-0097 Screening compound: 1-[(4,5-dimethylthiophen-3-yl)methyl]-4-(furan-2-carbonyl)piperazine
E534-0097 Screening compound: 1-[(4,5-dimethylthiophen-3-yl)methyl]-4-(furan-2-carbonyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E534-0097
1-[(4,5-dimethylthiophen-3-yl)methyl]-4-(furan-2-carbonyl)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

E534-0097

Molecular Formula

C16H20N2O2S (C16 H20 N2 O2 S)

Compound Name

1-[(4,5-dimethylthiophen-3-yl)methyl]-4-(furan-2-carbonyl)piperazine

IUPAC name

1-[(45-dimethylthiophen-3-yl)methyl]-4-(furan-2-carbonyl)piperazine

SMILES

Cc1c(C)scc1CN(CC1)CCN1C(c1ccco1)=O

InChI

InChI=1S/C16H20N2O2S/c1-12-13(2)21-11-14(12)10-17-5-7-18(8-6-17)16(19)15-4-3-9-20-15/h3-4,9,11H,5-8,10H2,1-2H3

InChI Key

AIQFXDLLUZSCHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.325

Distribution Coefficient, logD

1.871

Water Solubility, LogSw

-2.49

Polar Surface Area

30.024

Acid Dissociation Constant (pKa)

28.93

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

E534-0097 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with E534-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E534-0097?
Check Price and Availability of E534-0097, 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 E534-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E534-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E534-0097
  • 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 E534-0097 available by request