3537-5161 Screening compound: (6Z)-2-ethyl-5-imino-6-({4-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3537-5161 Screening compound: (6Z)-2-ethyl-5-imino-6-({4-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3537-5161 Screening compound: (6Z)-2-ethyl-5-imino-6-({4-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3537-5161
(6Z)-2-ethyl-5-imino-6-({4-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylidene)-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

3537-5161

Molecular Formula

C23H22N4O4S (C23 H22 N4 O4 S)

Compound Name

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

IUPAC name

(6Z)-2-ethyl-5-imino-6-({4-[2-(2-methoxyphenoxy)ethoxy]phenyl}methylidene)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCC(SC1=NC(/C2=C\c(cc3)ccc3OCCOc(cccc3)c3OC)=O)=NN1C2=N

InChI

InChI=1S/C23H22N4O4S/c1-3-20-26-27-21(24)17(22(28)25-23(27)32-20)14-15-8-10-16(11-9-15)30-12-13-31-19-7-5-4-6-18(19)29-2/h4-11,14,24H,3,12-13H2,1-2H3

InChI Key

DAECSXXENCIAIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.464

Distribution Coefficient, logD

1.989

Water Solubility, LogSw

-3.71

Polar Surface Area

77.203

Acid Dissociation Constant (pKa)

23.59

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

3537-5161 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3537-5161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3537-5161?
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What is the minimum amount of 3537-5161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3537-5161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3537-5161
  • 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 3537-5161 available by request