8012-6186 Screening compound: 5'-benzoyl-4-ethyl-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]

8012-6186 Screening compound: 5'-benzoyl-4-ethyl-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]
8012-6186 Screening compound: 5'-benzoyl-4-ethyl-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole] alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6186
5'-benzoyl-4-ethyl-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]

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

8012-6186

Molecular Formula

C30H24N4OS (C30 H24 N4 OS)

Compound Name

5'-benzoyl-4-ethyl-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]

IUPAC name

5'-benzoyl-4-ethyl-23'-diphenyl-2H3'H-spiro[phthalazine-12'-[134]thiadiazole]

SMILES

CCC(c1c(C23SC(C(c4ccccc4)=O)=NN3c3ccccc3)cccc1)=NN2c1ccccc1

InChI

InChI=1S/C30H24N4OS/c1-2-27-25-20-12-13-21-26(25)30(33(31-27)23-16-8-4-9-17-23)34(24-18-10-5-11-19-24)32-29(36-30)28(35)22-14-6-3-7-15-22/h3-21H,2H2,1H3/t30-/m1/s1

InChI Key

PXOFICOKCHPNOB-SSEXGKCCSA-N

MDL Number (MFCD)

MFCD03034323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.060

Distribution Coefficient, logD

7.060

Water Solubility, LogSw

-5.83

Polar Surface Area

38.922

Acid Dissociation Constant (pKa)

24.76

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.00

8012-6186 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8012-6186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6186?
Check Price and Availability of 8012-6186, 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 8012-6186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6186
  • 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 8012-6186 available by request