C660-0800 Screening compound: ethyl 6-methyl-4-{[3-(trifluoromethyl)phenyl]amino}furo[2,3-d]pyrimidine-5-carboxylate

C660-0800 Screening compound: ethyl 6-methyl-4-{[3-(trifluoromethyl)phenyl]amino}furo[2,3-d]pyrimidine-5-carboxylate
C660-0800 Screening compound: ethyl 6-methyl-4-{[3-(trifluoromethyl)phenyl]amino}furo[2,3-d]pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C660-0800
ethyl 6-methyl-4-{[3-(trifluoromethyl)phenyl]amino}furo[2,3-d]pyrimidine-5-carboxylate

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

C660-0800

Molecular Formula

C17H14F3N3O3 (C17 H14 F3 N3 O3)

Compound Name

ethyl 6-methyl-4-{[3-(trifluoromethyl)phenyl]amino}furo[2,3-d]pyrimidine-5-carboxylate

IUPAC name

ethyl 6-methyl-4-{[3-(trifluoromethyl)phenyl]amino}furo[23-d]pyrimidine-5-carboxylate

SMILES

CCOC(c1c(C)oc2c1c(Nc1cccc(C(F)(F)F)c1)ncn2)=O

InChI

InChI=1S/C17H14F3N3O3/c1-3-25-16(24)12-9(2)26-15-13(12)14(21-8-22-15)23-11-6-4-5-10(7-11)17(18,19)20/h4-8H,3H2,1-2H3,(H,21,22,23)

InChI Key

IDVXQDCZFPKCCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.342

Distribution Coefficient, logD

4.342

Water Solubility, LogSw

-4.68

Polar Surface Area

58.475

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C660-0800 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Antiviral Annotated Library (21441 compounds)

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

Lipid Metabolism Library (9174 compounds)

Nucleoside Mimetics Library (2197 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Metabolic
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • 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 C660-0800 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C660-0800?
Check Price and Availability of C660-0800, 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 C660-0800 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C660-0800
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C660-0800
  • 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 C660-0800 available by request