C508-0082 Screening compound: (5Z)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione

C508-0082 Screening compound: (5Z)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione
C508-0082 Screening compound: (5Z)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C508-0082
(5Z)-5-{[5-(cyclohexylsulfanyl)furan-2-yl]methylidene}-1-phenyl-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

C508-0082

Molecular Formula

C21H20N2O4S (C21 H20 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/C(N1c2ccccc2)=O)=C/c(o2)ccc2SC2CCCCC2)NC1=O

InChI

InChI=1S/C21H20N2O4S/c24-19-17(20(25)23(21(26)22-19)14-7-3-1-4-8-14)13-15-11-12-18(27-15)28-16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,22,24,26)

InChI Key

VSMQUKTUPMMSRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

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

4.449

Distribution Coefficient, logD

4.136

Water Solubility, LogSw

-4.34

Polar Surface Area

61.373

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-6.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C508-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0082?
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What is the minimum amount of C508-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0082
  • 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 C508-0082 available by request