D411-0543 Screening compound: N-{3-[(4-ethoxyphenyl)(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl}furan-2-carboxamide

D411-0543 Screening compound: N-{3-[(4-ethoxyphenyl)(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl}furan-2-carboxamide
D411-0543 Screening compound: N-{3-[(4-ethoxyphenyl)(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D411-0543
N-{3-[(4-ethoxyphenyl)(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl}furan-2-carboxamide

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

D411-0543

Molecular Formula

C25H31N3O3S (C25 H31 N3 O3 S)

Compound Name

N-{3-[(4-ethoxyphenyl)(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl}furan-2-carboxamide

IUPAC name

N-{3-[(4-ethoxyphenyl)(4-methylpiperazin-1-yl)methyl]-5-ethylthiophen-2-yl}furan-2-carboxamide

SMILES

CCc1cc(C(c(cc2)ccc2OCC)N2CCN(C)CC2)c(NC(c2ccco2)=O)s1

InChI

InChI=1S/C25H31N3O3S/c1-4-20-17-21(25(32-20)26-24(29)22-7-6-16-31-22)23(28-14-12-27(3)13-15-28)18-8-10-19(11-9-18)30-5-2/h6-11,16-17,23H,4-5,12-15H2,1-3H3,(H,26,29)/t23-/m1/s1

InChI Key

NHQNKMCIQVHWME-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD09540370

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.531

Distribution Coefficient, logD

3.759

Water Solubility, LogSw

-4.11

Polar Surface Area

45.056

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D411-0543 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D411-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D411-0543?
Check Price and Availability of D411-0543, 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 D411-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D411-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D411-0543
  • 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 D411-0543 available by request