C354-0656 Screening compound: (6Z)-6-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C354-0656 Screening compound: (6Z)-6-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C354-0656 Screening compound: (6Z)-6-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C354-0656
(6Z)-6-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-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

C354-0656

Molecular Formula

C22H19N5O5S2 (C22 H19 N5 O5 S2)

Compound Name

(6Z)-6-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-6-({3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CCOc(cc(/C=C(/C(N(C(SC)=NS1)C1=N1)=N)\C1=O)cc1)c1OCc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C22H19N5O5S2/c1-3-31-18-11-14(6-9-17(18)32-12-13-4-7-15(8-5-13)27(29)30)10-16-19(23)26-21(24-20(16)28)34-25-22(26)33-2/h4-11,23H,3,12H2,1-2H3

InChI Key

KACXODDSBZNIOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14750933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.321

Distribution Coefficient, logD

3.309

Water Solubility, LogSw

-3.67

Polar Surface Area

100.374

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with C354-0656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C354-0656?
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What is the minimum amount of C354-0656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C354-0656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C354-0656
  • 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 C354-0656 available by request