D402-0172 Screening compound: 8-(3,4-dimethoxyphenyl)-9-(4-hydroxy-3-methoxyphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

D402-0172 Screening compound: 8-(3,4-dimethoxyphenyl)-9-(4-hydroxy-3-methoxyphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
D402-0172 Screening compound: 8-(3,4-dimethoxyphenyl)-9-(4-hydroxy-3-methoxyphenyl)-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 D402-0172
8-(3,4-dimethoxyphenyl)-9-(4-hydroxy-3-methoxyphenyl)-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

D402-0172

Molecular Formula

C21H19N7O5 (C21 H19 N7 O5)

Compound Name

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

IUPAC name

10-(34-dimethoxyphenyl)-8-(4-hydroxy-3-methoxyphenyl)-245671112-heptaazatricyclo[7.4.0.0^{37}]trideca-1(9)351012-pentaen-13-ol

SMILES

COc(ccc(-c(c1c2Nc3nnnn3C1c(cc1)cc(OC)c1O)nnc2O)c1)c1OC

InChI

InChI=1S/C21H19N7O5/c1-31-13-7-5-10(8-15(13)33-3)17-16-18(20(30)24-23-17)22-21-25-26-27-28(21)19(16)11-4-6-12(29)14(9-11)32-2/h4-9,19,29H,1-3H3,(H,24,30)(H,22,25,27)/t19-/m0/s1

InChI Key

GTCLGGIPPVNCHP-IBGZPJMESA-N

MDL Number (MFCD)

MFCD09157309

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.934

Distribution Coefficient, logD

0.934

Water Solubility, LogSw

-1.85

Polar Surface Area

129.205

Acid Dissociation Constant (pKa)

7.06

Base Dissociation Constant (pKb)

10.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D402-0172 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral HBV Library (10007 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D402-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D402-0172?
Check Price and Availability of D402-0172, 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 D402-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D402-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D402-0172
  • 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 D402-0172 available by request