D411-0776 Screening compound: ethyl 4-{[5-ethyl-2-(furan-2-amido)thiophen-3-yl](phenyl)methyl}piperazine-1-carboxylate

D411-0776 Screening compound: ethyl 4-{[5-ethyl-2-(furan-2-amido)thiophen-3-yl](phenyl)methyl}piperazine-1-carboxylate
D411-0776 Screening compound: ethyl 4-{[5-ethyl-2-(furan-2-amido)thiophen-3-yl](phenyl)methyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D411-0776
ethyl 4-{[5-ethyl-2-(furan-2-amido)thiophen-3-yl](phenyl)methyl}piperazine-1-carboxylate

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

D411-0776

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

ethyl 4-{[5-ethyl-2-(furan-2-amido)thiophen-3-yl](phenyl)methyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{[5-ethyl-2-(furan-2-amido)thiophen-3-yl](phenyl)methyl}piperazine-1-carboxylate

SMILES

CCc1cc(C(c2ccccc2)N(CC2)CCN2C(OCC)=O)c(NC(c2ccco2)=O)s1

InChI

InChI=1S/C25H29N3O4S/c1-3-19-17-20(24(33-19)26-23(29)21-11-8-16-32-21)22(18-9-6-5-7-10-18)27-12-14-28(15-13-27)25(30)31-4-2/h5-11,16-17,22H,3-4,12-15H2,1-2H3,(H,26,29)/t22-/m1/s1

InChI Key

CWFWZRNLQBPTJY-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD09540442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.886

Distribution Coefficient, logD

4.462

Water Solubility, LogSw

-4.48

Polar Surface Area

57.236

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D411-0776 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D411-0776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D411-0776?
Check Price and Availability of D411-0776, 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 D411-0776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D411-0776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D411-0776
  • 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 D411-0776 available by request