D718-1333 Screening compound: 4-(2-furylmethyl)-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione

D718-1333 Screening compound: 4-(2-furylmethyl)-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione
D718-1333 Screening compound: 4-(2-furylmethyl)-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1333
4-(2-furylmethyl)-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione

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

D718-1333

Molecular Formula

C16H13N3O4 (C16 H13 N3 O4)

Compound Name

4-(2-furylmethyl)-9,10-dihydropyrimido[4,5-c]isoquinoline-1,3,7(2H,4H,8H)-trione

IUPAC name

4-[(furan-2-yl)methyl]-1H2H3H4H7H8H9H10H-pyrimido[45-c]isoquinoline-137-trione

SMILES

O=C(CCCc1c2C(N3)=O)c1cnc2N(Cc1ccco1)C3=O

InChI

InChI=1S/C16H13N3O4/c20-12-5-1-4-10-11(12)7-17-14-13(10)15(21)18-16(22)19(14)8-9-3-2-6-23-9/h2-3,6-7H,1,4-5,8H2,(H,18,21,22)

InChI Key

DQTHPUUOORIMNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10479559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.213

Distribution Coefficient, logD

2.211

Water Solubility, LogSw

-2.96

Polar Surface Area

71.556

Acid Dissociation Constant (pKa)

9.69

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D718-1333 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D718-1333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1333?
Check Price and Availability of D718-1333, 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 D718-1333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1333
  • 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 D718-1333 available by request