C679-0555 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]prop-2-enenitrile

C679-0555 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]prop-2-enenitrile
C679-0555 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]prop-2-enenitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-0555
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]prop-2-enenitrile

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

C679-0555

Molecular Formula

C25H20N6O2S (C25 H20 N6 O2 S)

Compound Name

(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[4-({5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]prop-2-enenitrile

IUPAC name

(2E)-2-(1H-13-benzodiazol-2-yl)-3-[4-({5-oxo-2-propyl-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]prop-2-enenitrile

SMILES

CCCC(SC1=NC(COc2ccc(/C=C(/c3nc(cccc4)c4[nH]3)\C#N)cc2)=C2)=NN1C2=O

InChI

InChI=1S/C25H20N6O2S/c1-2-5-22-30-31-23(32)13-18(27-25(31)34-22)15-33-19-10-8-16(9-11-19)12-17(14-26)24-28-20-6-3-4-7-21(20)29-24/h3-4,6-13H,2,5,15H2,1H3,(H,28,29)

InChI Key

TZXDLWHBNULRPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.639

Distribution Coefficient, logD

4.634

Water Solubility, LogSw

-4.38

Polar Surface Area

81.749

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

5.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with C679-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C679-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-0555
  • 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 C679-0555 available by request