3324-0961 Screening compound: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide

3324-0961 Screening compound: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide
3324-0961 Screening compound: N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3324-0961
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide

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

3324-0961

Molecular Formula

C21H24N4O5S3 (C21 H24 N4 O5 S3)

Compound Name

N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]acetamide

IUPAC name

N-[5-(2-methylpropyl)-134-thiadiazol-2-yl]-2-[(5Z)-4-oxo-2-sulfanylidene-5-[(345-trimethoxyphenyl)methylidene]-13-thiazolidin-3-yl]acetamide

SMILES

CC(C)Cc1nnc(NC(CN(C(/C(/S2)=C/c(cc3OC)cc(OC)c3OC)=O)C2=S)=O)s1

InChI

InChI=1S/C21H24N4O5S3/c1-11(2)6-17-23-24-20(33-17)22-16(26)10-25-19(27)15(32-21(25)31)9-12-7-13(28-3)18(30-5)14(8-12)29-4/h7-9,11H,6,10H2,1-5H3,(H,22,24,26)

InChI Key

YZVYBEHWLWWGGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02642238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.004

Distribution Coefficient, logD

3.972

Water Solubility, LogSw

-4.18

Polar Surface Area

86.610

Acid Dissociation Constant (pKa)

8.51

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

3324-0961 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 3324-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3324-0961?
Check Price and Availability of 3324-0961, 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 3324-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3324-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3324-0961
  • 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 3324-0961 available by request