8008-2128 Screening compound: 7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

8008-2128 Screening compound: 7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrano[2,3-d]pyrimidine-6-carbonitrile
8008-2128 Screening compound: 7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrano[2,3-d]pyrimidine-6-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-2128
7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1H,2H,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

8008-2128

Molecular Formula

C15H12N4O4 (C15 H12 N4 O4)

Compound Name

7-amino-5-(2-methoxyphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrano[2,3-d]pyrimidine-6-carbonitrile

IUPAC name

7-amino-5-(2-methoxyphenyl)-24-dioxo-1H2H3H4H5H-pyrano[23-d]pyrimidine-6-carbonitrile

SMILES

COc1c(C2C(C#N)=C(N)OC(NC(N3)=O)=C2C3=O)cccc1

InChI

InChI=1S/C15H12N4O4/c1-22-9-5-3-2-4-7(9)10-8(6-16)12(17)23-14-11(10)13(20)18-15(21)19-14/h2-5,10H,17H2,1H3,(H2,18,19,20,21)/t10-/m0/s1

InChI Key

OBFYFFSIDFKAEO-JTQLQIEISA-N

MDL Number (MFCD)

MFCD00395715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.441

Distribution Coefficient, logD

0.368

Water Solubility, LogSw

-1.90

Polar Surface Area

103.819

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 8008-2128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-2128?
Check Price and Availability of 8008-2128, 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 8008-2128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-2128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-2128
  • 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 8008-2128 available by request