D188-0088 Screening compound: 9-(3-ethoxy-4-hydroxyphenyl)-8-(4-fluorophenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

D188-0088 Screening compound: 9-(3-ethoxy-4-hydroxyphenyl)-8-(4-fluorophenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
D188-0088 Screening compound: 9-(3-ethoxy-4-hydroxyphenyl)-8-(4-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 D188-0088
9-(3-ethoxy-4-hydroxyphenyl)-8-(4-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

D188-0088

Molecular Formula

C20H16FN7O3 (C20 H16 FN7 O3)

Compound Name

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

IUPAC name

8-(3-ethoxy-4-hydroxyphenyl)-10-(4-fluorophenyl)-245671112-heptaazatricyclo[7.4.0.0^{37}]trideca-1(9)351012-pentaen-13-ol

SMILES

CCOc(cc(C1n2nnnc2Nc2c1c(-c(cc1)ccc1F)nnc2O)cc1)c1O

InChI

InChI=1S/C20H16FN7O3/c1-2-31-14-9-11(5-8-13(14)29)18-15-16(10-3-6-12(21)7-4-10)23-24-19(30)17(15)22-20-25-26-27-28(18)20/h3-9,18,29H,2H2,1H3,(H,24,30)(H,22,25,27)/t18-/m0/s1

InChI Key

SULROCRTZFBCGF-SFHVURJKSA-N

MDL Number (MFCD)

MFCD09157090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.771

Distribution Coefficient, logD

1.771

Water Solubility, LogSw

-2.13

Polar Surface Area

113.524

Acid Dissociation Constant (pKa)

7.06

Base Dissociation Constant (pKb)

9.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

D188-0088 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 D188-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D188-0088?
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What is the minimum amount of D188-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D188-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D188-0088
  • 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 D188-0088 available by request