C356-0033 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-[(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)methylidene]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-0033 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-[(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)methylidene]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-0033 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-[(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)methylidene]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0033
(6E)-5-imino-2-methanesulfonyl-6-[(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)methylidene]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-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

C356-0033

Molecular Formula

C23H22N4O5S3 (C23 H22 N4 O5 S3)

Compound Name

(6E)-5-imino-2-methanesulfonyl-6-[(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)methylidene]-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-5-imino-2-methanesulfonyl-6-[(3-methoxy-4-{2-[(4-methylphenyl)sulfanyl]ethoxy}phenyl)methylidene]-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

Cc(cc1)ccc1SCCOc(ccc(/C=C(\C(N(C(S1)=N2)N=C1S(C)(=O)=O)=N)/C2=O)c1)c1OC

InChI

InChI=1S/C23H22N4O5S3/c1-14-4-7-16(8-5-14)33-11-10-32-18-9-6-15(13-19(18)31-2)12-17-20(24)27-22(25-21(17)28)34-23(26-27)35(3,29)30/h4-9,12-13,24H,10-11H2,1-3H3

InChI Key

GECMUVMUOHFUCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.65

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.973

Distribution Coefficient, logD

2.879

Water Solubility, LogSw

-3.51

Polar Surface Area

99.414

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C356-0033 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

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 C356-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0033?
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What is the minimum amount of C356-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0033
  • 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 C356-0033 available by request