1018-0041 Screening compound: 1-{2,3',4-triphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl}ethan-1-one

1018-0041 Screening compound: 1-{2,3',4-triphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl}ethan-1-one
1018-0041 Screening compound: 1-{2,3',4-triphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1018-0041
1-{2,3',4-triphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl}ethan-1-one

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

1018-0041

Molecular Formula

C29H22N4OS (C29 H22 N4 OS)

Compound Name

1-{2,3',4-triphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl}ethan-1-one

IUPAC name

1-{23'4-triphenyl-2H3'H-spiro[phthalazine-12'-[134]thiadiazol]-5'-yl}ethan-1-one

SMILES

CC(C(SC12N(c3ccccc3)N=C(c3ccccc3)c3c2cccc3)=NN1c1ccccc1)=O

InChI

InChI=1S/C29H22N4OS/c1-21(34)28-31-33(24-17-9-4-10-18-24)29(35-28)26-20-12-11-19-25(26)27(22-13-5-2-6-14-22)30-32(29)23-15-7-3-8-16-23/h2-20H,1H3/t29-/m1/s1

InChI Key

SUBKCYUIIQFQAV-GDLZYMKVSA-N

MDL Number (MFCD)

MFCD00319836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.248

Distribution Coefficient, logD

6.237

Water Solubility, LogSw

-5.67

Polar Surface Area

39.106

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

6.90

1018-0041 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Others
  • Kinases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1018-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1018-0041?
Check Price and Availability of 1018-0041, 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 1018-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1018-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1018-0041
  • 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 1018-0041 available by request