C726-1361 Screening compound: 4-{[(6E)-5-imino-7-oxo-2-(piperidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl furan-2-carboxylate

C726-1361 Screening compound: 4-{[(6E)-5-imino-7-oxo-2-(piperidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl furan-2-carboxylate
C726-1361 Screening compound: 4-{[(6E)-5-imino-7-oxo-2-(piperidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C726-1361
4-{[(6E)-5-imino-7-oxo-2-(piperidin-1-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 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

C726-1361

Molecular Formula

C23H21N5O5S (C23 H21 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H21N5O5S/c1-31-18-13-14(7-8-16(18)33-21(30)17-6-5-11-32-17)12-15-19(24)28-22(25-20(15)29)34-23(26-28)27-9-3-2-4-10-27/h5-8,11-13,24H,2-4,9-10H2,1H3

InChI Key

YVSDTUCUCDMRIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14788455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.891

Distribution Coefficient, logD

0.391

Water Solubility, LogSw

-3.43

Polar Surface Area

94.728

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

9.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with C726-1361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C726-1361?
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What is the minimum amount of C726-1361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C726-1361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C726-1361
  • 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 C726-1361 available by request