D188-0076 Screening compound: 9-(3-fluorophenyl)-8-(4-fluorophenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

D188-0076 Screening compound: 9-(3-fluorophenyl)-8-(4-fluorophenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
D188-0076 Screening compound: 9-(3-fluorophenyl)-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 D188-0076
9-(3-fluorophenyl)-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

D188-0076

Molecular Formula

C18H11F2N7O (C18 H11 F2 N7 O)

Compound Name

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

SMILES

Oc1c2Nc3nnnn3C(c3cccc(F)c3)c2c(-c(cc2)ccc2F)nn1

InChI

InChI=1S/C18H11F2N7O/c19-11-6-4-9(5-7-11)14-13-15(17(28)23-22-14)21-18-24-25-26-27(18)16(13)10-2-1-3-12(20)8-10/h1-8,16H,(H,23,28)(H,21,24,26)/t16-/m0/s1

InChI Key

SLWMZNYIULYRFZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD09040029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.093

Distribution Coefficient, logD

2.093

Water Solubility, LogSw

-2.26

Polar Surface Area

89.765

Acid Dissociation Constant (pKa)

6.67

Base Dissociation Constant (pKb)

9.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with D188-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D188-0076?
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What is the minimum amount of D188-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D188-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D188-0076
  • 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 D188-0076 available by request