8008-8640 Screening compound: ethyl 4-(2,5-dimethylphenyl)-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

8008-8640 Screening compound: ethyl 4-(2,5-dimethylphenyl)-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
8008-8640 Screening compound: ethyl 4-(2,5-dimethylphenyl)-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-8640
ethyl 4-(2,5-dimethylphenyl)-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

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

8008-8640

Molecular Formula

C32H28N4O2S (C32 H28 N4 O2 S)

Compound Name

ethyl 4-(2,5-dimethylphenyl)-2,3'-diphenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

IUPAC name

ethyl 4-(25-dimethylphenyl)-23'-diphenyl-2H3'H-spiro[phthalazine-12'-[134]thiadiazole]-5'-carboxylate

SMILES

CCOC(C(SC1(c2c3cccc2)N(c2ccccc2)N=C3c2c(C)ccc(C)c2)=NN1c1ccccc1)=O

InChI

InChI=1S/C32H28N4O2S/c1-4-38-31(37)30-34-36(25-15-9-6-10-16-25)32(39-30)28-18-12-11-17-26(28)29(27-21-22(2)19-20-23(27)3)33-35(32)24-13-7-5-8-14-24/h5-21H,4H2,1-3H3/t32-/m1/s1

InChI Key

CQWQVOMKXFJAIH-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD01465224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.67

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.859

Distribution Coefficient, logD

7.857

Water Solubility, LogSw

-5.72

Polar Surface Area

46.033

Acid Dissociation Constant (pKa)

27.75

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.60

8008-8640 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8008-8640 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-8640?
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What is the minimum amount of 8008-8640 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-8640
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-8640
  • 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 8008-8640 available by request