E948-0057 Screening compound: N-cycloheptyl-6-methyl-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-carboxamide

E948-0057 Screening compound: N-cycloheptyl-6-methyl-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-carboxamide
E948-0057 Screening compound: N-cycloheptyl-6-methyl-4-(piperidin-1-yl)furo[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E948-0057
N-cycloheptyl-6-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

E948-0057

Molecular Formula

C20H28N4O2 (C20 H28 N4 O2)

Compound Name

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

IUPAC name

N-cycloheptyl-6-methyl-4-(piperidin-1-yl)furo[23-d]pyrimidine-5-carboxamide

SMILES

Cc1c(C(NC2CCCCCC2)=O)c2c(N3CCCCC3)ncnc2o1

InChI

InChI=1S/C20H28N4O2/c1-14-16(19(25)23-15-9-5-2-3-6-10-15)17-18(21-13-22-20(17)26-14)24-11-7-4-8-12-24/h13,15H,2-12H2,1H3,(H,23,25)

InChI Key

XCOCDTGWIUKUSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14929711

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.208

Distribution Coefficient, logD

4.208

Water Solubility, LogSw

-4.40

Polar Surface Area

56.024

Acid Dissociation Constant (pKa)

15.26

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

E948-0057 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E948-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E948-0057?
Check Price and Availability of E948-0057, 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 E948-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E948-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E948-0057
  • 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 E948-0057 available by request