D449-0081 Screening compound: 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

D449-0081 Screening compound: 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
D449-0081 Screening compound: 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 D449-0081
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

D449-0081

Molecular Formula

C17H17N3O4 (C17 H17 N3 O4)

Compound Name

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

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

SMILES

CC1(C)OCc2cc(C(N(Cc3ccco3)C(N3)=O)=O)c3nc2C1

InChI

InChI=1S/C17H17N3O4/c1-17(2)7-13-10(9-24-17)6-12-14(18-13)19-16(22)20(15(12)21)8-11-4-3-5-23-11/h3-6H,7-9H2,1-2H3,(H,18,19,22)

InChI Key

ZROATCQFIUZSDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14829275

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.513

Distribution Coefficient, logD

2.495

Water Solubility, LogSw

-3.08

Polar Surface Area

66.539

Acid Dissociation Constant (pKa)

8.78

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.29

D449-0081 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D449-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D449-0081?
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What is the minimum amount of D449-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D449-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D449-0081
  • 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 D449-0081 available by request