D491-7647 Screening compound: N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-diphenylacetamide

D491-7647 Screening compound: N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-diphenylacetamide
D491-7647 Screening compound: N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-diphenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-7647
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-diphenylacetamide

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

D491-7647

Molecular Formula

C26H31N3O2 (C26 H31 N3 O2)

Compound Name

N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2,2-diphenylacetamide

IUPAC name

N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperazin-1-yl)ethyl]-22-diphenylacetamide

SMILES

Cc1ccc(C(CNC(C(c2ccccc2)c2ccccc2)=O)N2CCN(C)CC2)o1

InChI

InChI=1S/C26H31N3O2/c1-20-13-14-24(31-20)23(29-17-15-28(2)16-18-29)19-27-26(30)25(21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-14,23,25H,15-19H2,1-2H3,(H,27,30)/t23-/m0/s1

InChI Key

GJCHFKZVQNFILX-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD12921893

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

417.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.830

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-3.95

Polar Surface Area

38.939

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

D491-7647 in Drug Discovery

Included in Screening Libraries

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

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 D491-7647 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-7647?
Check Price and Availability of D491-7647, 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 D491-7647 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-7647
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-7647
  • 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 D491-7647 available by request