D411-0540 Screening compound: N-{5-ethyl-3-[(4-methylpiperazin-1-yl)(pyridin-4-yl)methyl]thiophen-2-yl}furan-2-carboxamide

D411-0540 Screening compound: N-{5-ethyl-3-[(4-methylpiperazin-1-yl)(pyridin-4-yl)methyl]thiophen-2-yl}furan-2-carboxamide
D411-0540 Screening compound: N-{5-ethyl-3-[(4-methylpiperazin-1-yl)(pyridin-4-yl)methyl]thiophen-2-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D411-0540
N-{5-ethyl-3-[(4-methylpiperazin-1-yl)(pyridin-4-yl)methyl]thiophen-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

D411-0540

Molecular Formula

C22H26N4O2S (C22 H26 N4 O2 S)

Compound Name

N-{5-ethyl-3-[(4-methylpiperazin-1-yl)(pyridin-4-yl)methyl]thiophen-2-yl}furan-2-carboxamide

IUPAC name

N-{5-ethyl-3-[(4-methylpiperazin-1-yl)(pyridin-4-yl)methyl]thiophen-2-yl}furan-2-carboxamide

SMILES

CCc1cc(C(c2ccncc2)N2CCN(C)CC2)c(NC(c2ccco2)=O)s1

InChI

InChI=1S/C22H26N4O2S/c1-3-17-15-18(22(29-17)24-21(27)19-5-4-14-28-19)20(16-6-8-23-9-7-16)26-12-10-25(2)11-13-26/h4-9,14-15,20H,3,10-13H2,1-2H3,(H,24,27)/t20-/m1/s1

InChI Key

XJYAQLSDZBQRRU-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD09540368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.005

Distribution Coefficient, logD

2.531

Water Solubility, LogSw

-3.15

Polar Surface Area

47.361

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

7.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

D411-0540 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D411-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D411-0540?
Check Price and Availability of D411-0540, 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 D411-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D411-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D411-0540
  • 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 D411-0540 available by request