8018-4020 Screening compound: 8,9-bis(4-chlorophenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

8018-4020 Screening compound: 8,9-bis(4-chlorophenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
8018-4020 Screening compound: 8,9-bis(4-chlorophenyl)-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 8018-4020
8,9-bis(4-chlorophenyl)-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

8018-4020

Molecular Formula

C18H11Cl2N7O (C18 H11 Cl2 N7 O)

Compound Name

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

IUPAC name

810-bis(4-chlorophenyl)-245671112-heptaazatricyclo[7.4.0.0^{37}]trideca-1(9)351012-pentaen-13-ol

SMILES

Oc(c1c2C(c(cc3)ccc3Cl)n3nnnc3N1)nnc2-c(cc1)ccc1Cl

InChI

InChI=1S/C18H11Cl2N7O/c19-11-5-1-9(2-6-11)14-13-15(17(28)23-22-14)21-18-24-25-26-27(18)16(13)10-3-7-12(20)8-4-10/h1-8,16H,(H,23,28)(H,21,24,26)/t16-/m0/s1

InChI Key

IZNBHKJXRDNIPF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD07658506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.24

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

3.167

Distribution Coefficient, logD

3.167

Water Solubility, LogSw

-3.65

Polar Surface Area

89.765

Acid Dissociation Constant (pKa)

6.59

Base Dissociation Constant (pKb)

9.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 8018-4020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4020?
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What is the minimum amount of 8018-4020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4020
  • 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 8018-4020 available by request