D188-0013 Screening compound: 9-(2-fluorophenyl)-8-phenyl-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

D188-0013 Screening compound: 9-(2-fluorophenyl)-8-phenyl-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
D188-0013 Screening compound: 9-(2-fluorophenyl)-8-phenyl-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 D188-0013
9-(2-fluorophenyl)-8-phenyl-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

D188-0013

Molecular Formula

C18H12FN7O (C18 H12 FN7 O)

Compound Name

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

IUPAC name

8-(2-fluorophenyl)-10-phenyl-245671112-heptaazatricyclo[7.4.0.0^{37}]trideca-1(9)351012-pentaen-13-ol

SMILES

Oc1c2Nc3nnnn3C(c(cccc3)c3F)c2c(-c2ccccc2)nn1

InChI

InChI=1S/C18H12FN7O/c19-12-9-5-4-8-11(12)16-13-14(10-6-2-1-3-7-10)21-22-17(27)15(13)20-18-23-24-25-26(16)18/h1-9,16H,(H,22,27)(H,20,23,25)/t16-/m0/s1

InChI Key

JEECIONILPYABI-INIZCTEOSA-N

MDL Number (MFCD)

MFCD09040015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.34

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

2.059

Distribution Coefficient, logD

2.059

Water Solubility, LogSw

-1.88

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

5.60

References: we are preparing a list of scientific research reports with D188-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D188-0013?
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What is the minimum amount of D188-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D188-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D188-0013
  • 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 D188-0013 available by request