8019-9060 Screening compound: 7-amino-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4-oxo-3H,4H,5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

8019-9060 Screening compound: 7-amino-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4-oxo-3H,4H,5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
8019-9060 Screening compound: 7-amino-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4-oxo-3H,4H,5H-pyrano[2,3-d]pyrimidine-6-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-9060
7-amino-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4-oxo-3H,4H,5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

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

8019-9060

Molecular Formula

C16H12N4O5 (C16 H12 N4 O5)

Compound Name

7-amino-5-(7-methoxy-2H-1,3-benzodioxol-5-yl)-4-oxo-3H,4H,5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

IUPAC name

7-amino-5-(7-methoxy-2H-13-benzodioxol-5-yl)-4-oxo-3H4H5H-pyrano[23-d]pyrimidine-6-carbonitrile

SMILES

COc1c2OCOc2cc(C2C(C#N)=C(N)OC(N=CN3)=C2C3=O)c1

InChI

InChI=1S/C16H12N4O5/c1-22-9-2-7(3-10-13(9)24-6-23-10)11-8(4-17)14(18)25-16-12(11)15(21)19-5-20-16/h2-3,5,11H,6,18H2,1H3,(H,19,20,21)/t11-/m1/s1

InChI Key

CKXICSOZFMXATJ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD12034131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.118

Distribution Coefficient, logD

0.094

Water Solubility, LogSw

-1.37

Polar Surface Area

107.432

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

0.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.80

8019-9060 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8019-9060 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-9060?
Check Price and Availability of 8019-9060, 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 8019-9060 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-9060
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-9060
  • 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 8019-9060 available by request