C679-0560 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[3-ethoxy-4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]prop-2-enenitrile

C679-0560 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[3-ethoxy-4-({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]prop-2-enenitrile
C679-0560 Screening compound: (2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[3-ethoxy-4-({2-ethyl-5-oxo-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 C679-0560
(2E)-2-(1H-1,3-benzodiazol-2-yl)-3-[3-ethoxy-4-({2-ethyl-5-oxo-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

C679-0560

Molecular Formula

C26H22N6O3S (C26 H22 N6 O3 S)

Compound Name

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

SMILES

CCC(SC1=NC(COc(ccc(/C=C(/c2nc(cccc3)c3[nH]2)\C#N)c2)c2OCC)=C2)=NN1C2=O

InChI

InChI=1S/C26H22N6O3S/c1-3-23-31-32-24(33)13-18(28-26(32)36-23)15-35-21-10-9-16(12-22(21)34-4-2)11-17(14-27)25-29-19-7-5-6-8-20(19)30-25/h5-13H,3-4,15H2,1-2H3,(H,29,30)

InChI Key

QDNVLWKJBFHPRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781192

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.973

Distribution Coefficient, logD

3.966

Water Solubility, LogSw

-4.14

Polar Surface Area

89.046

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with C679-0560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-0560?
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What is the minimum amount of C679-0560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-0560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-0560
  • 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 C679-0560 available by request