C356-0221 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-{[1-(3-phenoxypropyl)-1H-indol-3-yl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-0221 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-{[1-(3-phenoxypropyl)-1H-indol-3-yl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-0221 Screening compound: (6E)-5-imino-2-methanesulfonyl-6-{[1-(3-phenoxypropyl)-1H-indol-3-yl]methylidene}-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0221
(6E)-5-imino-2-methanesulfonyl-6-{[1-(3-phenoxypropyl)-1H-indol-3-yl]methylidene}-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

C356-0221

Molecular Formula

C24H21N5O4S2 (C24 H21 N5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CS(C(SC1=NC(/C2=C/c3cn(CCCOc4ccccc4)c4c3cccc4)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C24H21N5O4S2/c1-35(31,32)24-27-29-21(25)19(22(30)26-23(29)34-24)14-16-15-28(20-11-6-5-10-18(16)20)12-7-13-33-17-8-3-2-4-9-17/h2-6,8-11,14-15,25H,7,12-13H2,1H3

InChI Key

KPEBXJMPRDAIEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

507.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.968

Distribution Coefficient, logD

2.874

Water Solubility, LogSw

-3.35

Polar Surface Area

93.679

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C356-0221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0221?
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What is the minimum amount of C356-0221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0221
  • 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 C356-0221 available by request