C356-0836 Screening compound: (6E)-6-({4-[(2H-1,3-benzodioxol-5-yl)methoxy]-3-chlorophenyl}methylidene)-2-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-0836 Screening compound: (6E)-6-({4-[(2H-1,3-benzodioxol-5-yl)methoxy]-3-chlorophenyl}methylidene)-2-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-0836 Screening compound: (6E)-6-({4-[(2H-1,3-benzodioxol-5-yl)methoxy]-3-chlorophenyl}methylidene)-2-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0836
(6E)-6-({4-[(2H-1,3-benzodioxol-5-yl)methoxy]-3-chlorophenyl}methylidene)-2-(ethanesulfonyl)-5-imino-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

C356-0836

Molecular Formula

C22H17ClN4O6S2 (C22 H17 ClN4 O6 S2)

Compound Name

(6E)-6-({4-[(2H-1,3-benzodioxol-5-yl)methoxy]-3-chlorophenyl}methylidene)-2-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-6-({4-[(2H-13-benzodioxol-5-yl)methoxy]-3-chlorophenyl}methylidene)-2-(ethanesulfonyl)-5-imino-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCS(C(SC1=NC(/C2=C/c(cc3)cc(Cl)c3OCc(cc3)cc4c3OCO4)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C22H17ClN4O6S2/c1-2-35(29,30)22-26-27-19(24)14(20(28)25-21(27)34-22)7-12-3-5-16(15(23)8-12)31-10-13-4-6-17-18(9-13)33-11-32-17/h3-9,24H,2,10-11H2,1H3

InChI Key

PJEALGDDKPCCEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.99

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.465

Distribution Coefficient, logD

3.370

Water Solubility, LogSw

-3.97

Polar Surface Area

108.268

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with C356-0836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0836?
Check Price and Availability of C356-0836, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C356-0836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0836
  • 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 C356-0836 available by request