C660-0831 Screening compound: methyl 2-{3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-amido}benzoate

C660-0831 Screening compound: methyl 2-{3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-amido}benzoate
C660-0831 Screening compound: methyl 2-{3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C660-0831
methyl 2-{3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-amido}benzoate

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

C660-0831

Molecular Formula

C17H15N3O5 (C17 H15 N3 O5)

Compound Name

methyl 2-{3,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidine-5-amido}benzoate

IUPAC name

methyl 2-{36-dimethyl-4-oxo-3H4H-furo[23-d]pyrimidine-5-amido}benzoate

SMILES

Cc1c(C(Nc(cccc2)c2C(OC)=O)=O)c(C(N(C)C=N2)=O)c2o1

InChI

InChI=1S/C17H15N3O5/c1-9-12(13-15(25-9)18-8-20(2)16(13)22)14(21)19-11-7-5-4-6-10(11)17(23)24-3/h4-8H,1-3H3,(H,19,21)

InChI Key

HBXPDYLXPXRLRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26965235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.106

Distribution Coefficient, logD

0.625

Water Solubility, LogSw

-2.21

Polar Surface Area

77.275

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

-1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

C660-0831 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

PI3K-Targeted Library (17255 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
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C660-0831 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C660-0831?
Check Price and Availability of C660-0831, 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 C660-0831 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C660-0831
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C660-0831
  • 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 C660-0831 available by request