3537-5221 Screening compound: (6Z)-6-({3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}methylidene)-2-ethyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3537-5221 Screening compound: (6Z)-6-({3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}methylidene)-2-ethyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3537-5221 Screening compound: (6Z)-6-({3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}methylidene)-2-ethyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3537-5221
(6Z)-6-({3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}methylidene)-2-ethyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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

3537-5221

Molecular Formula

C24H24N4O3S (C24 H24 N4 O3 S)

Compound Name

(6Z)-6-({3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl}methylidene)-2-ethyl-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6Z)-6-({3-[2-(34-dimethylphenoxy)ethoxy]phenyl}methylidene)-2-ethyl-5-imino-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCC(SC1=NC(/C2=C\c3cc(OCCOc4cc(C)c(C)cc4)ccc3)=O)=NN1C2=N

InChI

InChI=1S/C24H24N4O3S/c1-4-21-27-28-22(25)20(23(29)26-24(28)32-21)14-17-6-5-7-18(13-17)30-10-11-31-19-9-8-15(2)16(3)12-19/h5-9,12-14,25H,4,10-11H2,1-3H3

InChI Key

RGIUBTQBHXKZJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.792

Distribution Coefficient, logD

3.317

Water Solubility, LogSw

-4.56

Polar Surface Area

69.486

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3537-5221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3537-5221?
Check Price and Availability of 3537-5221, 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 3537-5221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3537-5221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3537-5221
  • 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 3537-5221 available by request