6995-0178 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(4-methylbenzenesulfonyl)imidazolidin-1-yl]ethan-1-one

6995-0178 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(4-methylbenzenesulfonyl)imidazolidin-1-yl]ethan-1-one
6995-0178 Screening compound: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(4-methylbenzenesulfonyl)imidazolidin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6995-0178
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(4-methylbenzenesulfonyl)imidazolidin-1-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

6995-0178

Molecular Formula

C15H18N4O3S3 (C15 H18 N4 O3 S3)

Compound Name

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(4-methylbenzenesulfonyl)imidazolidin-1-yl]ethan-1-one

IUPAC name

2-[(5-methyl-134-thiadiazol-2-yl)sulfanyl]-1-[3-(4-methylbenzenesulfonyl)imidazolidin-1-yl]ethan-1-one

SMILES

Cc1nnc(SCC(N(CC2)CN2S(c2ccc(C)cc2)(=O)=O)=O)s1

InChI

InChI=1S/C15H18N4O3S3/c1-11-3-5-13(6-4-11)25(21,22)19-8-7-18(10-19)14(20)9-23-15-17-16-12(2)24-15/h3-6H,7-10H2,1-2H3

InChI Key

YVSIYPSGZXEKQH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04057548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.030

Distribution Coefficient, logD

2.030

Water Solubility, LogSw

-2.44

Polar Surface Area

71.656

Acid Dissociation Constant (pKa)

19.65

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

6995-0178 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6995-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6995-0178?
Check Price and Availability of 6995-0178, 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 6995-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6995-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6995-0178
  • 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 6995-0178 available by request