D402-0167 Screening compound: 9-[4-(tert-butyl)phenyl]-8-(3,4-dimethoxyphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

D402-0167 Screening compound: 9-[4-(tert-butyl)phenyl]-8-(3,4-dimethoxyphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
D402-0167 Screening compound: 9-[4-(tert-butyl)phenyl]-8-(3,4-dimethoxyphenyl)-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 D402-0167
9-[4-(tert-butyl)phenyl]-8-(3,4-dimethoxyphenyl)-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

D402-0167

Molecular Formula

C24H25N7O3 (C24 H25 N7 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c1ccc(C2n3nnnc3Nc3c2c(-c(cc2)cc(OC)c2OC)nnc3O)cc1

InChI

InChI=1S/C24H25N7O3/c1-24(2,3)15-9-6-13(7-10-15)21-18-19(14-8-11-16(33-4)17(12-14)34-5)26-27-22(32)20(18)25-23-28-29-30-31(21)23/h6-12,21H,1-5H3,(H,27,32)(H,25,28,30)/t21-/m0/s1

InChI Key

MNBMXGZZWKPDIY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD09157304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.483

Distribution Coefficient, logD

3.483

Water Solubility, LogSw

-3.50

Polar Surface Area

105.026

Acid Dissociation Constant (pKa)

7.06

Base Dissociation Constant (pKb)

10.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

D402-0167 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 D402-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D402-0167?
Check Price and Availability of D402-0167, 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 D402-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D402-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D402-0167
  • 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 D402-0167 available by request