C679-0844 Screening compound: (6E)-2-(furan-2-yl)-5-imino-6-{[3-methoxy-4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C679-0844 Screening compound: (6E)-2-(furan-2-yl)-5-imino-6-{[3-methoxy-4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C679-0844 Screening compound: (6E)-2-(furan-2-yl)-5-imino-6-{[3-methoxy-4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-0844
(6E)-2-(furan-2-yl)-5-imino-6-{[3-methoxy-4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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

C679-0844

Molecular Formula

C24H17N7O5S2 (C24 H17 N7 O5 S2)

Compound Name

(6E)-2-(furan-2-yl)-5-imino-6-{[3-methoxy-4-({2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-2-(furan-2-yl)-5-imino-6-{[3-methoxy-4-({2-methyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methoxy)phenyl]methylidene}-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CC(SC1=NC(COc(ccc(/C=C(\C(N2N=C(c3ccco3)SC2=N2)=N)/C2=O)c2)c2OC)=C2)=NN1C2=O

InChI

InChI=1S/C24H17N7O5S2/c1-12-28-30-19(32)10-14(26-23(30)37-12)11-36-16-6-5-13(9-18(16)34-2)8-15-20(25)31-24(27-21(15)33)38-22(29-31)17-4-3-7-35-17/h3-10,25H,11H2,1-2H3

InChI Key

WFOAAKMYWOHHCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14781222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.58

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.004

Distribution Coefficient, logD

1.355

Water Solubility, LogSw

-2.70

Polar Surface Area

115.747

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

7.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with C679-0844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C679-0844?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-0844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-0844
  • 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 C679-0844 available by request