C355-0239 Screening compound: (6Z)-5-imino-3-methanesulfonyl-6-{[5-(phenylsulfanyl)furan-2-yl]methylidene}-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0239 Screening compound: (6Z)-5-imino-3-methanesulfonyl-6-{[5-(phenylsulfanyl)furan-2-yl]methylidene}-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0239 Screening compound: (6Z)-5-imino-3-methanesulfonyl-6-{[5-(phenylsulfanyl)furan-2-yl]methylidene}-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0239
(6Z)-5-imino-3-methanesulfonyl-6-{[5-(phenylsulfanyl)furan-2-yl]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

C355-0239

Molecular Formula

C17H12N4O4S3 (C17 H12 N4 O4 S3)

Compound Name

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

IUPAC name

(6Z)-5-imino-3-methanesulfonyl-6-{[5-(phenylsulfanyl)furan-2-yl]methylidene}-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CS(C(N1C(/C2=C/c(o3)ccc3Sc3ccccc3)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C17H12N4O4S3/c1-28(23,24)17-20-27-16-19-15(22)12(14(18)21(16)17)9-10-7-8-13(25-10)26-11-5-3-2-4-6-11/h2-9,18H,1H3

InChI Key

CZEHWBLCKCLGIK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.141

Distribution Coefficient, logD

2.128

Water Solubility, LogSw

-2.59

Polar Surface Area

88.810

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with C355-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0239?
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What is the minimum amount of C355-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0239
  • 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 C355-0239 available by request