D188-0149 Screening compound: methyl 4-[8-(4-bromophenyl)-5-hydroxy-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate

D188-0149 Screening compound: methyl 4-[8-(4-bromophenyl)-5-hydroxy-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate
D188-0149 Screening compound: methyl 4-[8-(4-bromophenyl)-5-hydroxy-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D188-0149
methyl 4-[8-(4-bromophenyl)-5-hydroxy-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate

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

D188-0149

Molecular Formula

C20H14BrN7O3 (C20 H14 BrN7 O3)

Compound Name

methyl 4-[8-(4-bromophenyl)-5-hydroxy-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-9-yl]benzoate

IUPAC name

methyl 4-[10-(4-bromophenyl)-13-hydroxy-245671112-heptaazatricyclo[7.4.0.0^{37}]trideca-1(9)351012-pentaen-8-yl]benzoate

SMILES

COC(c1ccc(C2n3nnnc3Nc3c2c(-c(cc2)ccc2Br)nnc3O)cc1)=O

InChI

InChI=1S/C20H14BrN7O3/c1-31-19(30)12-4-2-11(3-5-12)17-14-15(10-6-8-13(21)9-7-10)23-24-18(29)16(14)22-20-25-26-27-28(17)20/h2-9,17H,1H3,(H,24,29)(H,22,25,27)/t17-/m0/s1

InChI Key

OZDZPBIJENJISG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD09157142

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

2.902

Water Solubility, LogSw

-3.32

Polar Surface Area

110.939

Acid Dissociation Constant (pKa)

7.06

Base Dissociation Constant (pKb)

9.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

D188-0149 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 D188-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D188-0149?
Check Price and Availability of D188-0149, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D188-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D188-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D188-0149
  • 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 D188-0149 available by request