3537-5154 Screening compound: (6Z)-2-ethyl-5-imino-6-({3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

3537-5154 Screening compound: (6Z)-2-ethyl-5-imino-6-({3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
3537-5154 Screening compound: (6Z)-2-ethyl-5-imino-6-({3-methoxy-4-[2-(3-methylphenoxy)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 3537-5154
(6Z)-2-ethyl-5-imino-6-({3-methoxy-4-[2-(3-methylphenoxy)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

3537-5154

Molecular Formula

C24H24N4O4S (C24 H24 N4 O4 S)

Compound Name

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

IUPAC name

(6Z)-2-ethyl-5-imino-6-({3-methoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}methylidene)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCC(SC1=NC(/C2=C\c(cc3)cc(OC)c3OCCOc3cc(C)ccc3)=O)=NN1C2=N

InChI

InChI=1S/C24H24N4O4S/c1-4-21-27-28-22(25)18(23(29)26-24(28)33-21)13-16-8-9-19(20(14-16)30-3)32-11-10-31-17-7-5-6-15(2)12-17/h5-9,12-14,25H,4,10-11H2,1-3H3

InChI Key

IKWDCEKQJAOHJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.55

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

3.934

Distribution Coefficient, logD

2.459

Water Solubility, LogSw

-3.98

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

25.00

References: we are preparing a list of scientific research reports with 3537-5154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3537-5154?
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What is the minimum amount of 3537-5154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3537-5154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3537-5154
  • 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 3537-5154 available by request