C356-0106 Screening compound: (6E)-6-[(1-benzyl-1H-indol-3-yl)methylidene]-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-0106 Screening compound: (6E)-6-[(1-benzyl-1H-indol-3-yl)methylidene]-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-0106 Screening compound: (6E)-6-[(1-benzyl-1H-indol-3-yl)methylidene]-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0106
(6E)-6-[(1-benzyl-1H-indol-3-yl)methylidene]-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-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

C356-0106

Molecular Formula

C22H17N5O3S2 (C22 H17 N5 O3 S2)

Compound Name

(6E)-6-[(1-benzyl-1H-indol-3-yl)methylidene]-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-6-[(1-benzyl-1H-indol-3-yl)methylidene]-5-imino-2-methanesulfonyl-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CS(C(SC1=NC(/C2=C/c3cn(Cc4ccccc4)c4c3cccc4)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C22H17N5O3S2/c1-32(29,30)22-25-27-19(23)17(20(28)24-21(27)31-22)11-15-13-26(12-14-7-3-2-4-8-14)18-10-6-5-9-16(15)18/h2-11,13,23H,12H2,1H3

InChI Key

XDUIXJVTNDKHDI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.448

Distribution Coefficient, logD

2.354

Water Solubility, LogSw

-2.71

Polar Surface Area

86.283

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with C356-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0106?
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What is the minimum amount of C356-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0106
  • 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 C356-0106 available by request