C066-4713 Screening compound: 3,6-dimethyl-N-{3-[methyl(phenyl)amino]propyl}-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide

C066-4713 Screening compound: 3,6-dimethyl-N-{3-[methyl(phenyl)amino]propyl}-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide
C066-4713 Screening compound: 3,6-dimethyl-N-{3-[methyl(phenyl)amino]propyl}-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-4713
3,6-dimethyl-N-{3-[methyl(phenyl)amino]propyl}-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

C066-4713

Molecular Formula

C19H22N4O3 (C19 H22 N4 O3)

Compound Name

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

IUPAC name

36-dimethyl-N-{3-[methyl(phenyl)amino]propyl}-4-oxo-3H4H-furo[23-d]pyrimidine-5-carboxamide

SMILES

Cc1c(C(NCCCN(C)c2ccccc2)=O)c(C(N(C)C=N2)=O)c2o1

InChI

InChI=1S/C19H22N4O3/c1-13-15(16-18(26-13)21-12-23(3)19(16)25)17(24)20-10-7-11-22(2)14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11H2,1-3H3,(H,20,24)

InChI Key

QWKORTUCBGWSHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26961367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

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

0.571

Distribution Coefficient, logD

0.566

Water Solubility, LogSw

-1.80

Polar Surface Area

61.168

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

C066-4713 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

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 C066-4713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-4713?
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What is the minimum amount of C066-4713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-4713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-4713
  • 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 C066-4713 available by request