D402-0164 Screening compound: 9-(4-bromophenyl)-8-(3,4-dimethoxyphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

D402-0164 Screening compound: 9-(4-bromophenyl)-8-(3,4-dimethoxyphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
D402-0164 Screening compound: 9-(4-bromophenyl)-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 D402-0164
9-(4-bromophenyl)-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

D402-0164

Molecular Formula

C20H16BrN7O3 (C20 H16 BrN7 O3)

Compound Name

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

SMILES

COc(ccc(-c(nn1)c(C(c(cc2)ccc2Br)n2nnnc2N2)c2c1O)c1)c1OC

InChI

InChI=1S/C20H16BrN7O3/c1-30-13-8-5-11(9-14(13)31-2)16-15-17(19(29)24-23-16)22-20-25-26-27-28(20)18(15)10-3-6-12(21)7-4-10/h3-9,18H,1-2H3,(H,24,29)(H,22,25,27)/t18-/m0/s1

InChI Key

PKMKEUKTYWIEHM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD09157301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

2.522

Water Solubility, LogSw

-2.65

Polar Surface Area

105.026

Acid Dissociation Constant (pKa)

6.59

Base Dissociation Constant (pKb)

10.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

D402-0164 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 D402-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D402-0164?
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What is the minimum amount of D402-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D402-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D402-0164
  • 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 D402-0164 available by request