C508-0110 Screening compound: (5Z)-1-(4-ethylphenyl)-5-{[5-(naphthalen-1-ylsulfanyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

C508-0110 Screening compound: (5Z)-1-(4-ethylphenyl)-5-{[5-(naphthalen-1-ylsulfanyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
C508-0110 Screening compound: (5Z)-1-(4-ethylphenyl)-5-{[5-(naphthalen-1-ylsulfanyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C508-0110
(5Z)-1-(4-ethylphenyl)-5-{[5-(naphthalen-1-ylsulfanyl)furan-2-yl]methylidene}-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

C508-0110

Molecular Formula

C27H20N2O4S (C27 H20 N2 O4 S)

Compound Name

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

IUPAC name

(5Z)-1-(4-ethylphenyl)-5-{[5-(naphthalen-1-ylsulfanyl)furan-2-yl]methylidene}-13-diazinane-246-trione

SMILES

CCc(cc1)ccc1N(C(/C(/C(N1)=O)=C\c(o2)ccc2Sc2cccc3ccccc23)=O)C1=O

InChI

InChI=1S/C27H20N2O4S/c1-2-17-10-12-19(13-11-17)29-26(31)22(25(30)28-27(29)32)16-20-14-15-24(33-20)34-23-9-5-7-18-6-3-4-8-21(18)23/h3-16H,2H2,1H3,(H,28,30,32)

InChI Key

NPFDOYLVVZOOMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.956

Distribution Coefficient, logD

5.643

Water Solubility, LogSw

-6.59

Polar Surface Area

60.910

Acid Dissociation Constant (pKa)

7.38

Base Dissociation Constant (pKb)

-5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

References: we are preparing a list of scientific research reports with C508-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0110?
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What is the minimum amount of C508-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0110
  • 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 C508-0110 available by request