4272-0129 Screening compound: (6Z)-2-butyl-5-imino-6-({3-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

4272-0129 Screening compound: (6Z)-2-butyl-5-imino-6-({3-methoxy-4-[2-(4-methylphenoxy)ethoxy]phenyl}methylidene)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
4272-0129 Screening compound: (6Z)-2-butyl-5-imino-6-({3-methoxy-4-[2-(4-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 4272-0129
(6Z)-2-butyl-5-imino-6-({3-methoxy-4-[2-(4-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

4272-0129

Molecular Formula

C26H28N4O4S (C26 H28 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCC(SC1=NC(/C2=C\c(cc3)cc(OC)c3OCCOc3ccc(C)cc3)=O)=NN1C2=N

InChI

InChI=1S/C26H28N4O4S/c1-4-5-6-23-29-30-24(27)20(25(31)28-26(30)35-23)15-18-9-12-21(22(16-18)32-3)34-14-13-33-19-10-7-17(2)8-11-19/h7-12,15-16,27H,4-6,13-14H2,1-3H3

InChI Key

ZJPGENXWCIUOKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09959898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.842

Distribution Coefficient, logD

3.367

Water Solubility, LogSw

-4.60

Polar Surface Area

77.203

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

4272-0129 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 4272-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4272-0129?
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What is the minimum amount of 4272-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4272-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4272-0129
  • 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 4272-0129 available by request