C355-0514 Screening compound: (6Z)-3-(ethanesulfonyl)-6-({4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0514 Screening compound: (6Z)-3-(ethanesulfonyl)-6-({4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0514 Screening compound: (6Z)-3-(ethanesulfonyl)-6-({4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0514
(6Z)-3-(ethanesulfonyl)-6-({4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}methylidene)-5-imino-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

C355-0514

Molecular Formula

C25H26N4O5S2 (C25 H26 N4 O5 S2)

Compound Name

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

IUPAC name

(6Z)-3-(ethanesulfonyl)-6-({4-[2-(3-ethyl-5-methylphenoxy)ethoxy]phenyl}methylidene)-5-imino-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CCc1cc(C)cc(OCCOc2ccc(/C=C(/C(N(C(S(CC)(=O)=O)=NS3)C3=N3)=N)\C3=O)cc2)c1

InChI

InChI=1S/C25H26N4O5S2/c1-4-17-12-16(3)13-20(14-17)34-11-10-33-19-8-6-18(7-9-19)15-21-22(26)29-24(27-23(21)30)35-28-25(29)36(31,32)5-2/h6-9,12-15,26H,4-5,10-11H2,1-3H3

InChI Key

TZCAGWPPMNHORT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.194

Distribution Coefficient, logD

4.193

Water Solubility, LogSw

-4.24

Polar Surface Area

94.871

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C355-0514 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C355-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0514?
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What is the minimum amount of C355-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0514
  • 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 C355-0514 available by request