D402-0044 Screening compound: 8-(4-ethoxyphenyl)-9-(2-fluorophenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

D402-0044 Screening compound: 8-(4-ethoxyphenyl)-9-(2-fluorophenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
D402-0044 Screening compound: 8-(4-ethoxyphenyl)-9-(2-fluorophenyl)-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 D402-0044
8-(4-ethoxyphenyl)-9-(2-fluorophenyl)-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

D402-0044

Molecular Formula

C20H16FN7O2 (C20 H16 FN7 O2)

Compound Name

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

IUPAC name

10-(4-ethoxyphenyl)-8-(2-fluorophenyl)-245671112-heptaazatricyclo[7.4.0.0^{37}]trideca-1(9)351012-pentaen-13-ol

SMILES

CCOc(cc1)ccc1-c(nn1)c(C(c(cccc2)c2F)n2nnnc2N2)c2c1O

InChI

InChI=1S/C20H16FN7O2/c1-2-30-12-9-7-11(8-10-12)16-15-17(19(29)24-23-16)22-20-25-26-27-28(20)18(15)13-5-3-4-6-14(13)21/h3-10,18H,2H2,1H3,(H,24,29)(H,22,25,27)/t18-/m0/s1

InChI Key

YBCVPQAVLGYXJI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD09157188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.533

Distribution Coefficient, logD

2.533

Water Solubility, LogSw

-2.63

Polar Surface Area

96.889

Acid Dissociation Constant (pKa)

7.06

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

D402-0044 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D402-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D402-0044?
Check Price and Availability of D402-0044, 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 D402-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D402-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D402-0044
  • 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 D402-0044 available by request