C508-0527 Screening compound: 2-[(5Z)-5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

C508-0527 Screening compound: 2-[(5Z)-5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
C508-0527 Screening compound: 2-[(5Z)-5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C508-0527
2-[(5Z)-5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

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

C508-0527

Molecular Formula

C17H12N2O6S2 (C17 H12 N2 O6 S2)

Compound Name

2-[(5Z)-5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

IUPAC name

2-[(5Z)-5-{[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

Cc(ccc([N+]([O-])=O)c1)c1-c1ccc(/C=C(/C(N2CC(O)=O)=O)\SC2=S)o1

InChI

InChI=1S/C17H12N2O6S2/c1-9-2-3-10(19(23)24)6-12(9)13-5-4-11(25-13)7-14-16(22)18(8-15(20)21)17(26)27-14/h2-7H,8H2,1H3,(H,20,21)

InChI Key

RBKCMXDWJJVXHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14762879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.42

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.795

Distribution Coefficient, logD

-0.324

Water Solubility, LogSw

-3.08

Polar Surface Area

86.049

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

C508-0527 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 C508-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C508-0527?
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What is the minimum amount of C508-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C508-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C508-0527
  • 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 C508-0527 available by request