4102-0195 Screening compound: 5-(3-nitrophenyl)-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol

4102-0195 Screening compound: 5-(3-nitrophenyl)-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol
4102-0195 Screening compound: 5-(3-nitrophenyl)-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4102-0195
5-(3-nitrophenyl)-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol

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

4102-0195

Molecular Formula

C15H9N5O5 (C15 H9 N5 O5)

Compound Name

5-(3-nitrophenyl)-5H-pyrimido[5',4':5,6]pyrano[2,3-d]pyrimidine-4,6-diol

IUPAC name

9-(3-nitrophenyl)-2-oxa-461214-tetraazatricyclo[8.4.0.0^{38}]tetradeca-1(10)3571113-hexaene-711-diol

SMILES

[O-][N+](c1cc(C2c(c(O)ncn3)c3Oc3c2c(O)ncn3)ccc1)=O

InChI

InChI=1S/C15H9N5O5/c21-12-10-9(7-2-1-3-8(4-7)20(23)24)11-13(22)17-6-19-15(11)25-14(10)18-5-16-12/h1-6,9H,(H,16,18,21)(H,17,19,22)

InChI Key

LESOOCUBLPKKLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01853528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.27

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.243

Distribution Coefficient, logD

-3.761

Water Solubility, LogSw

-1.71

Polar Surface Area

115.541

Acid Dissociation Constant (pKa)

2.40

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

References: we are preparing a list of scientific research reports with 4102-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4102-0195?
Check Price and Availability of 4102-0195, 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 4102-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4102-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4102-0195
  • 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 4102-0195 available by request