C355-1201 Screening compound: (6Z)-6-({4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}methylidene)-5-imino-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-1201 Screening compound: (6Z)-6-({4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}methylidene)-5-imino-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-1201 Screening compound: (6Z)-6-({4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}methylidene)-5-imino-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-1201
(6Z)-6-({4-[2-(3,5-dimethylphenoxy)ethoxy]phenyl}methylidene)-5-imino-3-(propane-2-sulfonyl)-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

C355-1201

Molecular Formula

C25H26N4O5S2 (C25 H26 N4 O5 S2)

Compound Name

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

IUPAC name

(6Z)-6-({4-[2-(35-dimethylphenoxy)ethoxy]phenyl}methylidene)-5-imino-3-(propane-2-sulfonyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CC(C)S(C(N1C(/C2=C/c(cc3)ccc3OCCOc3cc(C)cc(C)c3)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C25H26N4O5S2/c1-15(2)36(31,32)25-28-35-24-27-23(30)21(22(26)29(24)25)14-18-5-7-19(8-6-18)33-9-10-34-20-12-16(3)11-17(4)13-20/h5-8,11-15,26H,9-10H2,1-4H3

InChI Key

YBXAXTBOESBDRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751687

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

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.997

Distribution Coefficient, logD

3.997

Water Solubility, LogSw

-4.13

Polar Surface Area

95.607

Acid Dissociation Constant (pKa)

19.65

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C355-1201 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 C355-1201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-1201?
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What is the minimum amount of C355-1201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-1201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-1201
  • 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 C355-1201 available by request