D188-0079 Screening compound: 9-(4-ethylphenyl)-8-(4-fluorophenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

D188-0079 Screening compound: 9-(4-ethylphenyl)-8-(4-fluorophenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
D188-0079 Screening compound: 9-(4-ethylphenyl)-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 D188-0079
9-(4-ethylphenyl)-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

D188-0079

Molecular Formula

C20H16FN7O (C20 H16 FN7 O)

Compound Name

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

SMILES

CCc1ccc(C2n3nnnc3Nc3c2c(-c(cc2)ccc2F)nnc3O)cc1

InChI

InChI=1S/C20H16FN7O/c1-2-11-3-5-13(6-4-11)18-15-16(12-7-9-14(21)10-8-12)23-24-19(29)17(15)22-20-25-26-27-28(18)20/h3-10,18H,2H2,1H3,(H,24,29)(H,22,25,27)/t18-/m0/s1

InChI Key

BPSJFDWGZUCHAD-SFHVURJKSA-N

MDL Number (MFCD)

MFCD09157081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.937

Distribution Coefficient, logD

2.937

Water Solubility, LogSw

-3.11

Polar Surface Area

89.765

Acid Dissociation Constant (pKa)

7.06

Base Dissociation Constant (pKb)

9.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with D188-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D188-0079?
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What is the minimum amount of D188-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D188-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D188-0079
  • 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 D188-0079 available by request