D402-0194 Screening compound: 9-(4-bromophenyl)-8-(2-furyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

D402-0194 Screening compound: 9-(4-bromophenyl)-8-(2-furyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
D402-0194 Screening compound: 9-(4-bromophenyl)-8-(2-furyl)-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 D402-0194
9-(4-bromophenyl)-8-(2-furyl)-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

D402-0194

Molecular Formula

C16H10BrN7O2 (C16 H10 BrN7 O2)

Compound Name

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

IUPAC name

8-(4-bromophenyl)-10-(furan-2-yl)-245671112-heptaazatricyclo[7.4.0.0^{37}]trideca-1(9)351012-pentaen-13-ol

SMILES

Oc1nnc(-c2ccco2)c2c1Nc1nnnn1C2c(cc1)ccc1Br

InChI

InChI=1S/C16H10BrN7O2/c17-9-5-3-8(4-6-9)14-11-12(10-2-1-7-26-10)19-20-15(25)13(11)18-16-21-22-23-24(14)16/h1-7,14H,(H,20,25)(H,18,21,23)/t14-/m0/s1

InChI Key

DIZTXMJPAWDHAM-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD09157327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.21

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.023

Distribution Coefficient, logD

2.023

Water Solubility, LogSw

-2.23

Polar Surface Area

98.344

Acid Dissociation Constant (pKa)

7.42

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.30

D402-0194 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D402-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D402-0194?
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What is the minimum amount of D402-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D402-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D402-0194
  • 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 D402-0194 available by request