C469-0331 Screening compound: N-{4-[2-(4-{[(6E)-2-(furan-2-yl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenoxy)ethoxy]phenyl}acetamide

C469-0331 Screening compound: N-{4-[2-(4-{[(6E)-2-(furan-2-yl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenoxy)ethoxy]phenyl}acetamide
C469-0331 Screening compound: N-{4-[2-(4-{[(6E)-2-(furan-2-yl)-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 C469-0331
N-{4-[2-(4-{[(6E)-2-(furan-2-yl)-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

C469-0331

Molecular Formula

C26H21N5O5S (C26 H21 N5 O5 S)

Compound Name

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

SMILES

CC(Nc(cc1)ccc1OCCOc1ccc(/C=C(\C(N2N=C(c3ccco3)SC2=N2)=N)/C2=O)cc1)=O

InChI

InChI=1S/C26H21N5O5S/c1-16(32)28-18-6-10-20(11-7-18)35-14-13-34-19-8-4-17(5-9-19)15-21-23(27)31-26(29-24(21)33)37-25(30-31)22-3-2-12-36-22/h2-12,15,27H,13-14H2,1H3,(H,28,32)

InChI Key

JOHDWSLFVXMXGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.866

Distribution Coefficient, logD

2.217

Water Solubility, LogSw

-3.40

Polar Surface Area

101.152

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with C469-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C469-0331?
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What is the minimum amount of C469-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C469-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C469-0331
  • 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 C469-0331 available by request