D449-0083 Screening compound: 1-ethyl-3-(2-furylmethyl)-8,8-dimethyl-1,6,8,9-tetrahydro-2H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4(3H)-dione

D449-0083 Screening compound: 1-ethyl-3-(2-furylmethyl)-8,8-dimethyl-1,6,8,9-tetrahydro-2H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4(3H)-dione
D449-0083 Screening compound: 1-ethyl-3-(2-furylmethyl)-8,8-dimethyl-1,6,8,9-tetrahydro-2H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound D449-0083
1-ethyl-3-(2-furylmethyl)-8,8-dimethyl-1,6,8,9-tetrahydro-2H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4(3H)-dione

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

D449-0083

Molecular Formula

C19H21N3O4 (C19 H21 N3 O4)

Compound Name

1-ethyl-3-(2-furylmethyl)-8,8-dimethyl-1,6,8,9-tetrahydro-2H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidine-2,4(3H)-dione

IUPAC name

4-ethyl-6-[(furan-2-yl)methyl]-1313-dimethyl-12-oxa-246-triazatricyclo[8.4.0.0^{38}]tetradeca-1(10)28-triene-57-dione

SMILES

CCN(c(nc(CC(C)(C)OC1)c1c1)c1C(N1Cc2ccco2)=O)C1=O

InChI

InChI=1S/C19H21N3O4/c1-4-21-16-14(8-12-11-26-19(2,3)9-15(12)20-16)17(23)22(18(21)24)10-13-6-5-7-25-13/h5-8H,4,9-11H2,1-3H3

InChI Key

CVVMAZKLWSAMCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.309

Distribution Coefficient, logD

3.308

Water Solubility, LogSw

-3.50

Polar Surface Area

58.029

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

D449-0083 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Agro:
  • Agro
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with D449-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D449-0083?
Check Price and Availability of D449-0083, 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 D449-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D449-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D449-0083
  • 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 D449-0083 available by request