C508-0055 Screening compound: (5Z)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

C508-0055 Screening compound: (5Z)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
C508-0055 Screening compound: (5Z)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C508-0055
(5Z)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-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

C508-0055

Molecular Formula

C22H22N2O4S (C22 H22 N2 O4 S)

Compound Name

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

IUPAC name

(5Z)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-13-diazinane-246-trione

SMILES

Cc(cc1)ccc1N(C(/C(/C(N1)=O)=C\c(o2)ccc2SC2CCCCC2)=O)C1=O

InChI

InChI=1S/C22H22N2O4S/c1-14-7-9-15(10-8-14)24-21(26)18(20(25)23-22(24)27)13-16-11-12-19(28-16)29-17-5-3-2-4-6-17/h7-13,17H,2-6H2,1H3,(H,23,25,27)

InChI Key

CLCNRFKMSYWXRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.993

Distribution Coefficient, logD

4.681

Water Solubility, LogSw

-4.51

Polar Surface Area

61.373

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with C508-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0055?
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What is the minimum amount of C508-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0055
  • 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 C508-0055 available by request