8009-4537 Screening compound: ethyl 3'-(4-bromophenyl)-4-(2,5-dimethylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

8009-4537 Screening compound: ethyl 3'-(4-bromophenyl)-4-(2,5-dimethylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
8009-4537 Screening compound: ethyl 3'-(4-bromophenyl)-4-(2,5-dimethylphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4537
ethyl 3'-(4-bromophenyl)-4-(2,5-dimethylphenyl)-2-phenyl-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

8009-4537

Molecular Formula

C32H27BrN4O2S (C32 H27 BrN4 O2 S)

Compound Name

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

IUPAC name

ethyl 3'-(4-bromophenyl)-4-(25-dimethylphenyl)-2-phenyl-2H3'H-spiro[phthalazine-12'-[134]thiadiazole]-5'-carboxylate

SMILES

CCOC(C(SC1(c2c3cccc2)N(c2ccccc2)N=C3c2c(C)ccc(C)c2)=NN1c(cc1)ccc1Br)=O

InChI

InChI=1S/C32H27BrN4O2S/c1-4-39-31(38)30-35-37(25-18-16-23(33)17-19-25)32(40-30)28-13-9-8-12-26(28)29(27-20-21(2)14-15-22(27)3)34-36(32)24-10-6-5-7-11-24/h5-20H,4H2,1-3H3/t32-/m1/s1

InChI Key

UTNFQKGNQWYDII-JGCGQSQUSA-N

MDL Number (MFCD)

MFCD01572302

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

611.56

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

8.815

Distribution Coefficient, logD

8.812

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

8009-4537 in Drug Discovery

Included in Screening Libraries

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

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 8009-4537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4537?
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What is the minimum amount of 8009-4537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4537
  • 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 8009-4537 available by request