C469-0338 Screening compound: N-{4-[2-(4-{[(6Z)-5-imino-7-oxo-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenoxy)ethoxy]phenyl}acetamide

C469-0338 Screening compound: N-{4-[2-(4-{[(6Z)-5-imino-7-oxo-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenoxy)ethoxy]phenyl}acetamide
C469-0338 Screening compound: N-{4-[2-(4-{[(6Z)-5-imino-7-oxo-5H,6H,7H-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenoxy)ethoxy]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C469-0338
N-{4-[2-(4-{[(6Z)-5-imino-7-oxo-5H,6H,7H-[1,3]thiazolo[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

C469-0338

Molecular Formula

C23H20N4O4S (C23 H20 N4 O4 S)

Compound Name

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

IUPAC name

N-{4-[2-(4-{[(6Z)-5-imino-7-oxo-5H6H7H-[13]thiazolo[32-a]pyrimidin-6-ylidene]methyl}phenoxy)ethoxy]phenyl}acetamide

SMILES

CC(Nc(cc1)ccc1OCCOc1ccc(/C=C(/C(N(C=CS2)C2=N2)=N)\C2=O)cc1)=O

InChI

InChI=1S/C23H20N4O4S/c1-15(28)25-17-4-8-19(9-5-17)31-12-11-30-18-6-2-16(3-7-18)14-20-21(24)27-10-13-32-23(27)26-22(20)29/h2-10,13-14,24H,11-12H2,1H3,(H,25,28)

InChI Key

NWEYKOQBRWLSBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.949

Distribution Coefficient, logD

1.945

Water Solubility, LogSw

-2.49

Polar Surface Area

80.496

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

C469-0338 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C469-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C469-0338?
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What is the minimum amount of C469-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C469-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C469-0338
  • 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 C469-0338 available by request