C355-0206 Screening compound: (6Z)-5-imino-3-methanesulfonyl-6-({4-[3-(4-methylphenoxy)propoxy]phenyl}methylidene)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0206 Screening compound: (6Z)-5-imino-3-methanesulfonyl-6-({4-[3-(4-methylphenoxy)propoxy]phenyl}methylidene)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0206 Screening compound: (6Z)-5-imino-3-methanesulfonyl-6-({4-[3-(4-methylphenoxy)propoxy]phenyl}methylidene)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0206
(6Z)-5-imino-3-methanesulfonyl-6-({4-[3-(4-methylphenoxy)propoxy]phenyl}methylidene)-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

C355-0206

Molecular Formula

C23H22N4O5S2 (C23 H22 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1OCCCOc1ccc(/C=C(/C(N(C(S(C)(=O)=O)=NS2)C2=N2)=N)\C2=O)cc1

InChI

InChI=1S/C23H22N4O5S2/c1-15-4-8-17(9-5-15)31-12-3-13-32-18-10-6-16(7-11-18)14-19-20(24)27-22(25-21(19)28)33-26-23(27)34(2,29)30/h4-11,14,24H,3,12-13H2,1-2H3

InChI Key

FQDWRIORRPLQFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

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

2.905

Distribution Coefficient, logD

2.898

Water Solubility, LogSw

-3.41

Polar Surface Area

95.583

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with C355-0206 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0206?
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What is the minimum amount of C355-0206 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0206
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0206
  • 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 C355-0206 available by request