2490-0089 Screening compound: 1-[3'-(2-chlorophenyl)-4-methyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one

2490-0089 Screening compound: 1-[3'-(2-chlorophenyl)-4-methyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one
2490-0089 Screening compound: 1-[3'-(2-chlorophenyl)-4-methyl-2-phenyl-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 2490-0089
1-[3'-(2-chlorophenyl)-4-methyl-2-phenyl-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

2490-0089

Molecular Formula

C24H19ClN4OS (C24 H19 ClN4 OS)

Compound Name

1-[3'-(2-chlorophenyl)-4-methyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazol]-5'-yl]ethan-1-one

IUPAC name

1-[3'-(2-chlorophenyl)-4-methyl-2-phenyl-2H3'H-spiro[phthalazine-12'-[134]thiadiazol]-5'-yl]ethan-1-one

SMILES

CC(C(SC12N(c3ccccc3)N=C(C)c3c2cccc3)=NN1c(cccc1)c1Cl)=O

InChI

InChI=1S/C24H19ClN4OS/c1-16-19-12-6-7-13-20(19)24(28(26-16)18-10-4-3-5-11-18)29(27-23(31-24)17(2)30)22-15-9-8-14-21(22)25/h3-15H,1-2H3/t24-/m1/s1

InChI Key

UVSQOFWKWRCZGI-XMMPIXPASA-N

MDL Number (MFCD)

MFCD01439202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.659

Distribution Coefficient, logD

5.659

Water Solubility, LogSw

-5.84

Polar Surface Area

38.250

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

2490-0089 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2490-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2490-0089?
Check Price and Availability of 2490-0089, 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 2490-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2490-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2490-0089
  • 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 2490-0089 available by request