4476-3762 Screening compound: 4-[(5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

4476-3762 Screening compound: 4-[(5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
4476-3762 Screening compound: 4-[(5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-3762
4-[(5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic 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

4476-3762

Molecular Formula

C25H22N4O6S2 (C25 H22 N4 O6 S2)

Compound Name

4-[(5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

IUPAC name

4-[(5Z)-5-{[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]butanoic acid

SMILES

CCOc(ccc(-c(c(/C=C(/C(N1CCCC(O)=O)=O)\SC1=S)c1)nn1-c1ccccc1)c1)c1[N+]([O-])=O

InChI

InChI=1S/C25H22N4O6S2/c1-2-35-20-11-10-16(13-19(20)29(33)34)23-17(15-28(26-23)18-7-4-3-5-8-18)14-21-24(32)27(25(36)37-21)12-6-9-22(30)31/h3-5,7-8,10-11,13-15H,2,6,9,12H2,1H3,(H,30,31)

InChI Key

CFSKPWWQGMYTLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03461442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.61

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.657

Distribution Coefficient, logD

0.843

Water Solubility, LogSw

-3.93

Polar Surface Area

100.000

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 4476-3762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-3762?
Check Price and Availability of 4476-3762, 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 4476-3762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-3762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-3762
  • 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 4476-3762 available by request