C355-0915 Screening compound: (6Z)-6-[(4-chlorophenyl)methylidene]-5-imino-3-(2-methylpropanesulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0915 Screening compound: (6Z)-6-[(4-chlorophenyl)methylidene]-5-imino-3-(2-methylpropanesulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0915 Screening compound: (6Z)-6-[(4-chlorophenyl)methylidene]-5-imino-3-(2-methylpropanesulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0915
(6Z)-6-[(4-chlorophenyl)methylidene]-5-imino-3-(2-methylpropanesulfonyl)-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

C355-0915

Molecular Formula

C16H15ClN4O3S2 (C16 H15 ClN4 O3 S2)

Compound Name

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

IUPAC name

(6Z)-6-[(4-chlorophenyl)methylidene]-5-imino-3-(2-methylpropanesulfonyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CC(C)CS(C(N1C(/C2=C/c(cc3)ccc3Cl)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C16H15ClN4O3S2/c1-9(2)8-26(23,24)16-20-25-15-19-14(22)12(13(18)21(15)16)7-10-3-5-11(17)6-4-10/h3-7,9,18H,8H2,1-2H3

InChI Key

KSEQGYDVMZMNNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.9

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

2.778

Distribution Coefficient, logD

2.776

Water Solubility, LogSw

-3.83

Polar Surface Area

80.307

Acid Dissociation Constant (pKa)

22.72

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 C355-0915 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0915?
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What is the minimum amount of C355-0915 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0915
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0915
  • 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 C355-0915 available by request