D402-0090 Screening compound: 9-(4-hydroxyphenyl)-8-(4-nitrophenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

D402-0090 Screening compound: 9-(4-hydroxyphenyl)-8-(4-nitrophenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
D402-0090 Screening compound: 9-(4-hydroxyphenyl)-8-(4-nitrophenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D402-0090
9-(4-hydroxyphenyl)-8-(4-nitrophenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

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

D402-0090

Molecular Formula

C18H12N8O4 (C18 H12 N8 O4)

Compound Name

9-(4-hydroxyphenyl)-8-(4-nitrophenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

IUPAC name

8-(4-hydroxyphenyl)-10-(4-nitrophenyl)-245671112-heptaazatricyclo[7.4.0.0^{37}]trideca-1(9)351012-pentaen-13-ol

SMILES

[O-][N+](c(cc1)ccc1-c(c1c2Nc3nnnn3C1c(cc1)ccc1O)nnc2O)=O

InChI

InChI=1S/C18H12N8O4/c27-12-7-3-10(4-8-12)16-13-14(9-1-5-11(6-2-9)26(29)30)20-21-17(28)15(13)19-18-22-23-24-25(16)18/h1-8,16,27H,(H,21,28)(H,19,22,24)/t16-/m0/s1

InChI Key

GEEJHHZVFFGHIQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD09157234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.34

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.283

Distribution Coefficient, logD

1.283

Water Solubility, LogSw

-1.72

Polar Surface Area

140.764

Acid Dissociation Constant (pKa)

7.06

Base Dissociation Constant (pKb)

9.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with D402-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D402-0090?
Check Price and Availability of D402-0090, 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 D402-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D402-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D402-0090
  • 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 D402-0090 available by request