C726-1376 Screening compound: 2-ethoxy-4-{[(6E)-5-imino-7-oxo-2-(piperidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

C726-1376 Screening compound: 2-ethoxy-4-{[(6E)-5-imino-7-oxo-2-(piperidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate
C726-1376 Screening compound: 2-ethoxy-4-{[(6E)-5-imino-7-oxo-2-(piperidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C726-1376
2-ethoxy-4-{[(6E)-5-imino-7-oxo-2-(piperidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

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

C726-1376

Molecular Formula

C24H23N5O5S (C24 H23 N5 O5 S)

Compound Name

2-ethoxy-4-{[(6E)-5-imino-7-oxo-2-(piperidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

IUPAC name

2-ethoxy-4-{[(6E)-5-imino-7-oxo-2-(piperidin-1-yl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}phenyl furan-2-carboxylate

SMILES

CCOc(cc(/C=C(\C(N1N=C(N2CCCCC2)SC1=N1)=N)/C1=O)cc1)c1OC(c1ccco1)=O

InChI

InChI=1S/C24H23N5O5S/c1-2-32-19-14-15(8-9-17(19)34-22(31)18-7-6-12-33-18)13-16-20(25)29-23(26-21(16)30)35-24(27-29)28-10-4-3-5-11-28/h6-9,12-14,25H,2-5,10-11H2,1H3

InChI Key

WDHPVDNEUOZONL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.037

Distribution Coefficient, logD

0.537

Water Solubility, LogSw

-3.39

Polar Surface Area

94.308

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C726-1376 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 C726-1376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C726-1376?
Check Price and Availability of C726-1376, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C726-1376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C726-1376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C726-1376
  • 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 C726-1376 available by request