C469-0288 Screening compound: N-{4-[2-(4-{[(6E)-2-ethyl-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenoxy)ethoxy]phenyl}acetamide

C469-0288 Screening compound: N-{4-[2-(4-{[(6E)-2-ethyl-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenoxy)ethoxy]phenyl}acetamide
C469-0288 Screening compound: N-{4-[2-(4-{[(6E)-2-ethyl-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenoxy)ethoxy]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C469-0288
N-{4-[2-(4-{[(6E)-2-ethyl-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenoxy)ethoxy]phenyl}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

C469-0288

Molecular Formula

C24H23N5O4S (C24 H23 N5 O4 S)

Compound Name

N-{4-[2-(4-{[(6E)-2-ethyl-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenoxy)ethoxy]phenyl}acetamide

IUPAC name

N-{4-[2-(4-{[(6E)-2-ethyl-5-imino-7-oxo-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}phenoxy)ethoxy]phenyl}acetamide

SMILES

CCC(SC1=NC(/C2=C/c(cc3)ccc3OCCOc(cc3)ccc3NC(C)=O)=O)=NN1C2=N

InChI

InChI=1S/C24H23N5O4S/c1-3-21-28-29-22(25)20(23(31)27-24(29)34-21)14-16-4-8-18(9-5-16)32-12-13-33-19-10-6-17(7-11-19)26-15(2)30/h4-11,14,25H,3,12-13H2,1-2H3,(H,26,30)

InChI Key

NINWHGRBYJVYKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.982

Distribution Coefficient, logD

1.507

Water Solubility, LogSw

-3.36

Polar Surface Area

92.748

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C469-0288 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 C469-0288 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C469-0288?
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What is the minimum amount of C469-0288 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C469-0288
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C469-0288
  • 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 C469-0288 available by request