C355-0878 Screening compound: (6Z)-5-imino-6-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-3-(2-methylpropanesulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0878 Screening compound: (6Z)-5-imino-6-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-3-(2-methylpropanesulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0878 Screening compound: (6Z)-5-imino-6-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-3-(2-methylpropanesulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0878
(6Z)-5-imino-6-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-3-(2-methylpropanesulfonyl)-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

C355-0878

Molecular Formula

C25H26N4O6S2 (C25 H26 N4 O6 S2)

Compound Name

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

IUPAC name

(6Z)-5-imino-6-{[3-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-3-(2-methylpropanesulfonyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CC(C)CS(C(N1C(/C2=C/c(cc3)cc(OC)c3OCCOc3ccccc3)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C25H26N4O6S2/c1-16(2)15-37(31,32)25-28-36-24-27-23(30)19(22(26)29(24)25)13-17-9-10-20(21(14-17)33-3)35-12-11-34-18-7-5-4-6-8-18/h4-10,13-14,16,26H,11-12,15H2,1-3H3

InChI Key

DEAMJADLBLZORG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.64

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.281

Distribution Coefficient, logD

3.280

Water Solubility, LogSw

-3.68

Polar Surface Area

102.588

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with C355-0878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0878?
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What is the minimum amount of C355-0878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0878
  • 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 C355-0878 available by request