C508-0128 Screening compound: (5Z)-1-(3-chloro-4-methylphenyl)-5-{[5-(naphthalen-1-ylsulfanyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione

C508-0128 Screening compound: (5Z)-1-(3-chloro-4-methylphenyl)-5-{[5-(naphthalen-1-ylsulfanyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
C508-0128 Screening compound: (5Z)-1-(3-chloro-4-methylphenyl)-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 C508-0128
(5Z)-1-(3-chloro-4-methylphenyl)-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

C508-0128

Molecular Formula

C26H17ClN2O4S (C26 H17 ClN2 O4 S)

Compound Name

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

IUPAC name

(5Z)-1-(3-chloro-4-methylphenyl)-5-{[5-(naphthalen-1-ylsulfanyl)furan-2-yl]methylidene}-13-diazinane-246-trione

SMILES

Cc(ccc(N(C(/C(/C(N1)=O)=C\c(o2)ccc2Sc2cccc3ccccc23)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C26H17ClN2O4S/c1-15-9-10-17(13-21(15)27)29-25(31)20(24(30)28-26(29)32)14-18-11-12-23(33-18)34-22-8-4-6-16-5-2-3-7-19(16)22/h2-14H,1H3,(H,28,30,32)

InChI Key

QHLIUHWSWFTVTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.95

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

6.280

Distribution Coefficient, logD

5.273

Water Solubility, LogSw

-6.44

Polar Surface Area

60.910

Acid Dissociation Constant (pKa)

6.44

Base Dissociation Constant (pKb)

-6.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.80

C508-0128 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C508-0128 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0128?
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What is the minimum amount of C508-0128 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0128
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0128
  • 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 C508-0128 available by request