7489-2096 Screening compound: N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-N-methyl-2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamide

7489-2096 Screening compound: N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-N-methyl-2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamide
7489-2096 Screening compound: N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-N-methyl-2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7489-2096
N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-N-methyl-2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamide

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

7489-2096

Molecular Formula

C19H16N4O2S3 (C19 H16 N4 O2 S3)

Compound Name

N-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-N-methyl-2-(2-oxo-2,3-dihydro-1,3-benzothiazol-3-yl)acetamide

IUPAC name

N-[5-(benzylsulfanyl)-134-thiadiazol-2-yl]-N-methyl-2-(2-oxo-23-dihydro-13-benzothiazol-3-yl)acetamide

SMILES

CN(C(CN(c(cccc1)c1S1)C1=O)=O)c1nnc(SCc2ccccc2)s1

InChI

InChI=1S/C19H16N4O2S3/c1-22(16(24)11-23-14-9-5-6-10-15(14)27-19(23)25)17-20-21-18(28-17)26-12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3

InChI Key

LVAXCSDYCKHLHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06759446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.575

Distribution Coefficient, logD

3.575

Water Solubility, LogSw

-3.78

Polar Surface Area

53.333

Acid Dissociation Constant (pKa)

19.99

Base Dissociation Constant (pKb)

-3.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

7489-2096 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Agro:
  • Agro
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7489-2096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7489-2096?
Check Price and Availability of 7489-2096, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7489-2096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7489-2096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7489-2096
  • 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 7489-2096 available by request