8012-9815 Screening compound: 2-[4-(2-furyl)-2-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyridazin-7-yl]-1,3-benzothiazole

8012-9815 Screening compound: 2-[4-(2-furyl)-2-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyridazin-7-yl]-1,3-benzothiazole
8012-9815 Screening compound: 2-[4-(2-furyl)-2-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyridazin-7-yl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9815
2-[4-(2-furyl)-2-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyridazin-7-yl]-1,3-benzothiazole

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

8012-9815

Molecular Formula

C22H12N6O3S (C22 H12 N6 O3 S)

Compound Name

2-[4-(2-furyl)-2-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyridazin-7-yl]-1,3-benzothiazole

IUPAC name

2-[4-(furan-2-yl)-2-(4-nitrophenyl)-2H-pyrazolo[34-d]pyridazin-7-yl]-13-benzothiazole

SMILES

[O-][N+](c(cc1)ccc1-n(cc12)nc2c(-c2nc(cccc3)c3s2)nnc1-c1ccco1)=O

InChI

InChI=1S/C22H12N6O3S/c29-28(30)14-9-7-13(8-10-14)27-12-15-19(17-5-3-11-31-17)24-25-21(20(15)26-27)22-23-16-4-1-2-6-18(16)32-22/h1-12H

InChI Key

ZBFZIQHHAPMCAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.501

Distribution Coefficient, logD

4.501

Water Solubility, LogSw

-4.59

Polar Surface Area

89.279

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8012-9815 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8012-9815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9815?
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What is the minimum amount of 8012-9815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9815
  • 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 8012-9815 available by request