D402-0078 Screening compound: 9-[4-(tert-butyl)phenyl]-8-(4-nitrophenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

D402-0078 Screening compound: 9-[4-(tert-butyl)phenyl]-8-(4-nitrophenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
D402-0078 Screening compound: 9-[4-(tert-butyl)phenyl]-8-(4-nitrophenyl)-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 D402-0078
9-[4-(tert-butyl)phenyl]-8-(4-nitrophenyl)-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

D402-0078

Molecular Formula

C22H20N8O3 (C22 H20 N8 O3)

Compound Name

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

IUPAC name

8-(4-tert-butylphenyl)-10-(4-nitrophenyl)-245671112-heptaazatricyclo[7.4.0.0^{37}]trideca-1(9)351012-pentaen-13-ol

SMILES

CC(C)(C)c1ccc(C2n3nnnc3Nc3c2c(-c(cc2)ccc2[N+]([O-])=O)nnc3O)cc1

InChI

InChI=1S/C22H20N8O3/c1-22(2,3)14-8-4-13(5-9-14)19-16-17(12-6-10-15(11-7-12)30(32)33)24-25-20(31)18(16)23-21-26-27-28-29(19)21/h4-11,19H,1-3H3,(H,25,31)(H,23,26,28)/t19-/m0/s1

InChI Key

ROAXGAKSZGCDNG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD09157222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.698

Distribution Coefficient, logD

3.698

Water Solubility, LogSw

-3.92

Polar Surface Area

123.147

Acid Dissociation Constant (pKa)

7.06

Base Dissociation Constant (pKb)

9.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with D402-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D402-0078?
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What is the minimum amount of D402-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D402-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D402-0078
  • 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 D402-0078 available by request