1675-0079 Screening compound: ethyl 3'-(3-chlorophenyl)-4-methyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate

1675-0079 Screening compound: ethyl 3'-(3-chlorophenyl)-4-methyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate
1675-0079 Screening compound: ethyl 3'-(3-chlorophenyl)-4-methyl-2-phenyl-2H,3'H-spiro[phthalazine-1,2'-[1,3,4]thiadiazole]-5'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1675-0079
ethyl 3'-(3-chlorophenyl)-4-methyl-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

1675-0079

Molecular Formula

C25H21ClN4O2S (C25 H21 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(SC12N(c3ccccc3)N=C(C)c3c2cccc3)=NN1c1cccc(Cl)c1)=O

InChI

InChI=1S/C25H21ClN4O2S/c1-3-32-24(31)23-28-30(20-13-9-10-18(26)16-20)25(33-23)22-15-8-7-14-21(22)17(2)27-29(25)19-11-5-4-6-12-19/h4-16H,3H2,1-2H3/t25-/m1/s1

InChI Key

MLFJLIKFPYFOMO-RUZDIDTESA-N

MDL Number (MFCD)

MFCD00748041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.510

Distribution Coefficient, logD

6.510

Water Solubility, LogSw

-6.13

Polar Surface Area

45.478

Acid Dissociation Constant (pKa)

25.29

Base Dissociation Constant (pKb)

3.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.00

1675-0079 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1675-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1675-0079?
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What is the minimum amount of 1675-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1675-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1675-0079
  • 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 1675-0079 available by request