8006-5551 Screening compound: ethyl 4-(4-chlorophenyl)-3'-(4-methoxyphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

8006-5551 Screening compound: ethyl 4-(4-chlorophenyl)-3'-(4-methoxyphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
8006-5551 Screening compound: ethyl 4-(4-chlorophenyl)-3'-(4-methoxyphenyl)-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5551
ethyl 4-(4-chlorophenyl)-3'-(4-methoxyphenyl)-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

8006-5551

Molecular Formula

C31H25ClN4O3S (C31 H25 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(SC12N(c3ccccc3)N=C(c(cc3)ccc3Cl)c3c2cccc3)=NN1c(cc1)ccc1OC)=O

InChI

InChI=1S/C31H25ClN4O3S/c1-3-39-30(37)29-34-36(24-17-19-25(38-2)20-18-24)31(40-29)27-12-8-7-11-26(27)28(21-13-15-22(32)16-14-21)33-35(31)23-9-5-4-6-10-23/h4-20H,3H2,1-2H3/t31-/m1/s1

InChI Key

GCDUELREATUSCL-WJOKGBTCSA-N

MDL Number (MFCD)

MFCD00762117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.08

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.653

Distribution Coefficient, logD

7.652

Water Solubility, LogSw

-6.38

Polar Surface Area

53.577

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.90

8006-5551 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • 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 8006-5551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5551?
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What is the minimum amount of 8006-5551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5551
  • 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 8006-5551 available by request