8415-11785 Screening compound: 2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one

8415-11785 Screening compound: 2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one
8415-11785 Screening compound: 2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8415-11785
2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-(pyrrolidin-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

8415-11785

Molecular Formula

C10H15N3OS (C10 H15 N3 OS)

Compound Name

2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

Cn1c(SCC(N2CCCC2)=O)ncc1

InChI

InChI=1S/C10H15N3OS/c1-12-7-4-11-10(12)15-8-9(14)13-5-2-3-6-13/h4,7H,2-3,5-6,8H2,1H3

InChI Key

CRQNCZZFWVZEMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03546659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

225.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.811

Distribution Coefficient, logD

0.382

Water Solubility, LogSw

-1.41

Polar Surface Area

29.644

Acid Dissociation Constant (pKa)

20.34

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

8415-11785 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8415-11785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8415-11785?
Check Price and Availability of 8415-11785, 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 8415-11785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8415-11785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8415-11785
  • 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 8415-11785 available by request