D402-0037 Screening compound: 9-(4-chlorophenyl)-8-(4-ethoxyphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

D402-0037 Screening compound: 9-(4-chlorophenyl)-8-(4-ethoxyphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
D402-0037 Screening compound: 9-(4-chlorophenyl)-8-(4-ethoxyphenyl)-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 D402-0037
9-(4-chlorophenyl)-8-(4-ethoxyphenyl)-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

D402-0037

Molecular Formula

C20H16ClN7O2 (C20 H16 ClN7 O2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1-c(nn1)c(C(c(cc2)ccc2Cl)n2nnnc2N2)c2c1O

InChI

InChI=1S/C20H16ClN7O2/c1-2-30-14-9-5-11(6-10-14)16-15-17(19(29)24-23-16)22-20-25-26-27-28(20)18(15)12-3-7-13(21)8-4-12/h3-10,18H,2H2,1H3,(H,24,29)(H,22,25,27)/t18-/m0/s1

InChI Key

APIXLWXRSXIPDG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD09157181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.85

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

2.941

Distribution Coefficient, logD

2.941

Water Solubility, LogSw

-3.69

Polar Surface Area

96.889

Acid Dissociation Constant (pKa)

6.59

Base Dissociation Constant (pKb)

9.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

D402-0037 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 D402-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D402-0037?
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What is the minimum amount of D402-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D402-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D402-0037
  • 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 D402-0037 available by request