C508-0028 Screening compound: 5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C508-0028 Screening compound: 5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
C508-0028 Screening compound: 5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C508-0028
5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione

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

C508-0028

Molecular Formula

C17H20N2O4S (C17 H20 N2 O4 S)

Compound Name

5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione

IUPAC name

5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-13-dimethyl-13-diazinane-246-trione

SMILES

CN(C(C(C(N1C)=O)=Cc(o2)ccc2SC2CCCCC2)=O)C1=O

InChI

InChI=1S/C17H20N2O4S/c1-18-15(20)13(16(21)19(2)17(18)22)10-11-8-9-14(23-11)24-12-6-4-3-5-7-12/h8-10,12H,3-7H2,1-2H3

InChI Key

DUHFFCYDLWNYJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.921

Distribution Coefficient, logD

3.921

Water Solubility, LogSw

-3.89

Polar Surface Area

53.108

Acid Dissociation Constant (pKa)

28.00

Base Dissociation Constant (pKb)

-7.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

C508-0028 in Drug Discovery

Included in Screening Libraries

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

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C508-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0028?
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What is the minimum amount of C508-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0028
  • 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 C508-0028 available by request