8006-8130 Screening compound: 1-[(5Z)-4-(3-chlorophenyl)-5-[(naphthalen-1-yl)imino]-4,5-dihydro-1,3,4-thiadiazol-2-yl]ethan-1-one

8006-8130 Screening compound: 1-[(5Z)-4-(3-chlorophenyl)-5-[(naphthalen-1-yl)imino]-4,5-dihydro-1,3,4-thiadiazol-2-yl]ethan-1-one
8006-8130 Screening compound: 1-[(5Z)-4-(3-chlorophenyl)-5-[(naphthalen-1-yl)imino]-4,5-dihydro-1,3,4-thiadiazol-2-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8130
1-[(5Z)-4-(3-chlorophenyl)-5-[(naphthalen-1-yl)imino]-4,5-dihydro-1,3,4-thiadiazol-2-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

8006-8130

Molecular Formula

C20H14ClN3OS (C20 H14 ClN3 OS)

Compound Name

1-[(5Z)-4-(3-chlorophenyl)-5-[(naphthalen-1-yl)imino]-4,5-dihydro-1,3,4-thiadiazol-2-yl]ethan-1-one

IUPAC name

1-[(5Z)-4-(3-chlorophenyl)-5-[(naphthalen-1-yl)imino]-45-dihydro-134-thiadiazol-2-yl]ethan-1-one

SMILES

CC(C(S/C1=N\c2cccc3ccccc23)=NN1c1cccc(Cl)c1)=O

InChI

InChI=1S/C20H14ClN3OS/c1-13(25)19-23-24(16-9-5-8-15(21)12-16)20(26-19)22-18-11-4-7-14-6-2-3-10-17(14)18/h2-12H,1H3

InChI Key

UIJHLPCGQJMHJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00762138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.370

Distribution Coefficient, logD

5.370

Water Solubility, LogSw

-6.21

Polar Surface Area

35.319

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

-6.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

8006-8130 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-8130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8130?
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What is the minimum amount of 8006-8130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8130
  • 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 8006-8130 available by request