C393-0023 Screening compound: ethyl 6-{5-[(cyanosulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-oxohexanoate

C393-0023 Screening compound: ethyl 6-{5-[(cyanosulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-oxohexanoate
C393-0023 Screening compound: ethyl 6-{5-[(cyanosulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-oxohexanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C393-0023
ethyl 6-{5-[(cyanosulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-oxohexanoate

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

C393-0023

Molecular Formula

C13H17N3O4S (C13 H17 N3 O4 S)

Compound Name

ethyl 6-{5-[(cyanosulfanyl)methyl]-2-oxo-2,3-dihydro-1H-imidazol-4-yl}-6-oxohexanoate

IUPAC name

ethyl 6-{5-[(cyanosulfanyl)methyl]-2-oxo-23-dihydro-1H-imidazol-4-yl}-6-oxohexanoate

SMILES

CCOC(CCCCC(C(N1)=C(CSC#N)NC1=O)=O)=O

InChI

InChI=1S/C13H17N3O4S/c1-2-20-11(18)6-4-3-5-10(17)12-9(7-21-8-14)15-13(19)16-12/h2-7H2,1H3,(H2,15,16,19)

InChI Key

NEUHSUAEYDKQLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01305391

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.851

Distribution Coefficient, logD

-2.245

Water Solubility, LogSw

-1.79

Polar Surface Area

87.307

Acid Dissociation Constant (pKa)

4.31

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

C393-0023 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with C393-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C393-0023?
Check Price and Availability of C393-0023, 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 C393-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C393-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C393-0023
  • 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 C393-0023 available by request