C508-0014 Screening compound: (5Z)-5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1-(1-phenylethyl)-1,3-diazinane-2,4,6-trione

C508-0014 Screening compound: (5Z)-5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1-(1-phenylethyl)-1,3-diazinane-2,4,6-trione
C508-0014 Screening compound: (5Z)-5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1-(1-phenylethyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound C508-0014
(5Z)-5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1-(1-phenylethyl)-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

C508-0014

Molecular Formula

C24H19N3O6 (C24 H19 N3 O6)

Compound Name

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

IUPAC name

(5Z)-5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-1-(1-phenylethyl)-13-diazinane-246-trione

SMILES

CC(c1ccccc1)N(C(/C(/C(N1)=O)=C\c2ccc(-c3c(C)ccc([N+]([O-])=O)c3)o2)=O)C1=O

InChI

InChI=1S/C24H19N3O6/c1-14-8-9-17(27(31)32)12-19(14)21-11-10-18(33-21)13-20-22(28)25-24(30)26(23(20)29)15(2)16-6-4-3-5-7-16/h3-13,15H,1-2H3,(H,25,28,30)/t15-/m0/s1

InChI Key

SDSPCQIJGZJSFK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14762646

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.681

Distribution Coefficient, logD

4.671

Water Solubility, LogSw

-4.53

Polar Surface Area

94.294

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

-6.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

C508-0014 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C508-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0014?
Check Price and Availability of C508-0014, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C508-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0014
  • 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 C508-0014 available by request