3180-0062 Screening compound: 3-methoxy-N-{5-[2-(naphthalen-2-ylsulfanyl)ethyl]-1,3,4-thiadiazol-2-yl}benzamide

3180-0062 Screening compound: 3-methoxy-N-{5-[2-(naphthalen-2-ylsulfanyl)ethyl]-1,3,4-thiadiazol-2-yl}benzamide
3180-0062 Screening compound: 3-methoxy-N-{5-[2-(naphthalen-2-ylsulfanyl)ethyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3180-0062
3-methoxy-N-{5-[2-(naphthalen-2-ylsulfanyl)ethyl]-1,3,4-thiadiazol-2-yl}benzamide

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

3180-0062

Molecular Formula

C22H19N3O2S2 (C22 H19 N3 O2 S2)

Compound Name

3-methoxy-N-{5-[2-(naphthalen-2-ylsulfanyl)ethyl]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

3-methoxy-N-{5-[2-(naphthalen-2-ylsulfanyl)ethyl]-134-thiadiazol-2-yl}benzamide

SMILES

COc1cccc(C(Nc2nnc(CCSc3cc4ccccc4cc3)s2)=O)c1

InChI

InChI=1S/C22H19N3O2S2/c1-27-18-8-4-7-17(13-18)21(26)23-22-25-24-20(29-22)11-12-28-19-10-9-15-5-2-3-6-16(15)14-19/h2-10,13-14H,11-12H2,1H3,(H,23,25,26)

InChI Key

DRICPJGQQOJKOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02108908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.556

Distribution Coefficient, logD

5.233

Water Solubility, LogSw

-6.38

Polar Surface Area

54.370

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

3180-0062 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3180-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3180-0062?
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What is the minimum amount of 3180-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3180-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3180-0062
  • 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 3180-0062 available by request