E948-0180 Screening compound: 6-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-carboxamide

E948-0180 Screening compound: 6-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-carboxamide
E948-0180 Screening compound: 6-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E948-0180
6-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-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

E948-0180

Molecular Formula

C27H35N5O2 (C27 H35 N5 O2)

Compound Name

6-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-carboxamide

IUPAC name

6-methyl-N-({1-[(3-methylphenyl)methyl]piperidin-4-yl}methyl)-4-(piperidin-1-yl)furo[23-d]pyrimidine-5-carboxamide

SMILES

Cc1c(C(NCC2CCN(Cc3cc(C)ccc3)CC2)=O)c2c(N3CCCCC3)ncnc2o1

InChI

InChI=1S/C27H35N5O2/c1-19-7-6-8-22(15-19)17-31-13-9-21(10-14-31)16-28-26(33)23-20(2)34-27-24(23)25(29-18-30-27)32-11-4-3-5-12-32/h6-8,15,18,21H,3-5,9-14,16-17H2,1-2H3,(H,28,33)

InChI Key

YTFBUUGFLCTPBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.707

Distribution Coefficient, logD

2.215

Water Solubility, LogSw

-4.68

Polar Surface Area

59.700

Acid Dissociation Constant (pKa)

15.03

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.90

E948-0180 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E948-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E948-0180?
Check Price and Availability of E948-0180, 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 E948-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E948-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E948-0180
  • 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 E948-0180 available by request