D449-0093 Screening compound: 1-benzyl-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

D449-0093 Screening compound: 1-benzyl-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
D449-0093 Screening compound: 1-benzyl-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 D449-0093
1-benzyl-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

D449-0093

Molecular Formula

C24H23N3O4 (C24 H23 N3 O4)

Compound Name

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

SMILES

CC(C)(C1)OCc(cc2C(N3Cc4ccco4)=O)c1nc2N(Cc1ccccc1)C3=O

InChI

InChI=1S/C24H23N3O4/c1-24(2)12-20-17(15-31-24)11-19-21(25-20)26(13-16-7-4-3-5-8-16)23(29)27(22(19)28)14-18-9-6-10-30-18/h3-11H,12-15H2,1-2H3

InChI Key

ISYPBEPXWLPGEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.565

Distribution Coefficient, logD

4.565

Water Solubility, LogSw

-4.57

Polar Surface Area

58.033

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

D449-0093 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D449-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D449-0093?
Check Price and Availability of D449-0093, 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 D449-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D449-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D449-0093
  • 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 D449-0093 available by request