C355-0681 Screening compound: (6Z)-3-(ethanesulfonyl)-6-[(4-ethylphenyl)methylidene]-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0681 Screening compound: (6Z)-3-(ethanesulfonyl)-6-[(4-ethylphenyl)methylidene]-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0681 Screening compound: (6Z)-3-(ethanesulfonyl)-6-[(4-ethylphenyl)methylidene]-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0681
(6Z)-3-(ethanesulfonyl)-6-[(4-ethylphenyl)methylidene]-5-imino-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

C355-0681

Molecular Formula

C16H16N4O3S2 (C16 H16 N4 O3 S2)

Compound Name

(6Z)-3-(ethanesulfonyl)-6-[(4-ethylphenyl)methylidene]-5-imino-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-3-(ethanesulfonyl)-6-[(4-ethylphenyl)methylidene]-5-imino-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CCc1ccc(/C=C(/C(N(C(S(CC)(=O)=O)=NS2)C2=N2)=N)\C2=O)cc1

InChI

InChI=1S/C16H16N4O3S2/c1-3-10-5-7-11(8-6-10)9-12-13(17)20-15(18-14(12)21)24-19-16(20)25(22,23)4-2/h5-9,17H,3-4H2,1-2H3

InChI Key

XWQMGZLPZSXFSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.129

Distribution Coefficient, logD

2.128

Water Solubility, LogSw

-2.70

Polar Surface Area

80.307

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C355-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0681?
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What is the minimum amount of C355-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0681
  • 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 C355-0681 available by request