C066-4716 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-6-methyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

C066-4716 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-6-methyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide
C066-4716 Screening compound: N-{3-[benzyl(butyl)amino]propyl}-6-methyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4716
N-{3-[benzyl(butyl)amino]propyl}-6-methyl-4-oxo-3H,4H-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

C066-4716

Molecular Formula

C22H28N4O3 (C22 H28 N4 O3)

Compound Name

N-{3-[benzyl(butyl)amino]propyl}-6-methyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

IUPAC name

N-{3-[benzyl(butyl)amino]propyl}-6-methyl-4-oxo-3H4H-furo[23-d]pyrimidine-5-carboxamide

SMILES

CCCCN(CCCNC(c1c(C)oc(N=CN2)c1C2=O)=O)Cc1ccccc1

InChI

InChI=1S/C22H28N4O3/c1-3-4-12-26(14-17-9-6-5-7-10-17)13-8-11-23-20(27)18-16(2)29-22-19(18)21(28)24-15-25-22/h5-7,9-10,15H,3-4,8,11-14H2,1-2H3,(H,23,27)(H,24,25,28)

InChI Key

ZMUSLFABLOWGEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.859

Distribution Coefficient, logD

0.296

Water Solubility, LogSw

-2.28

Polar Surface Area

71.512

Acid Dissociation Constant (pKa)

9.45

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C066-4716 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C066-4716 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4716?
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What is the minimum amount of C066-4716 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4716
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4716
  • 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 C066-4716 available by request