C355-1239 Screening compound: (6Z)-6-[(3-bromo-4-hydroxyphenyl)methylidene]-5-imino-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-1239 Screening compound: (6Z)-6-[(3-bromo-4-hydroxyphenyl)methylidene]-5-imino-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-1239 Screening compound: (6Z)-6-[(3-bromo-4-hydroxyphenyl)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 C355-1239
(6Z)-6-[(3-bromo-4-hydroxyphenyl)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

C355-1239

Molecular Formula

C15H13BrN4O4S2 (C15 H13 BrN4 O4 S2)

Compound Name

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

IUPAC name

(6Z)-6-[(3-bromo-4-hydroxyphenyl)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)cc(Br)c3O)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C15H13BrN4O4S2/c1-7(2)26(23,24)15-19-25-14-18-13(22)9(12(17)20(14)15)5-8-3-4-11(21)10(16)6-8/h3-7,17,21H,1-2H3

InChI Key

WDBMRRCNTHYZBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.33

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.727

Distribution Coefficient, logD

1.688

Water Solubility, LogSw

-2.34

Polar Surface Area

97.591

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C355-1239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-1239?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-1239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-1239
  • 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 C355-1239 available by request