C355-1163 Screening compound: (6Z)-6-[(furan-2-yl)methylidene]-5-imino-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-1163 Screening compound: (6Z)-6-[(furan-2-yl)methylidene]-5-imino-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-1163 Screening compound: (6Z)-6-[(furan-2-yl)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 C355-1163
(6Z)-6-[(furan-2-yl)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

C355-1163

Molecular Formula

C13H12N4O4S2 (C13 H12 N4 O4 S2)

Compound Name

(6Z)-6-[(furan-2-yl)methylidene]-5-imino-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-6-[(furan-2-yl)methylidene]-5-imino-3-(propane-2-sulfonyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CC(C)S(C(N1C(/C2=C/c3ccco3)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C13H12N4O4S2/c1-7(2)23(19,20)13-16-22-12-15-11(18)9(10(14)17(12)13)6-8-4-3-5-21-8/h3-7,14H,1-2H3

InChI Key

MSWDHARQWYSALS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.786

Distribution Coefficient, logD

0.786

Water Solubility, LogSw

-2.15

Polar Surface Area

88.792

Acid Dissociation Constant (pKa)

19.65

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with C355-1163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-1163?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-1163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-1163
  • 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 C355-1163 available by request