C356-0580 Screening compound: (6E)-6-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]methylidene}-2-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-0580 Screening compound: (6E)-6-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]methylidene}-2-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-0580 Screening compound: (6E)-6-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]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 C356-0580
(6E)-6-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]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

C356-0580

Molecular Formula

C23H21ClN4O5S2 (C23 H21 ClN4 O5 S2)

Compound Name

(6E)-6-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]methylidene}-2-(ethanesulfonyl)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-6-{[4-(benzyloxy)-3-chloro-5-ethoxyphenyl]methylidene}-2-(ethanesulfonyl)-5-imino-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCOc1cc(/C=C(\C(N(C(S2)=N3)N=C2S(CC)(=O)=O)=N)/C3=O)cc(Cl)c1OCc1ccccc1

InChI

InChI=1S/C23H21ClN4O5S2/c1-3-32-18-12-15(11-17(24)19(18)33-13-14-8-6-5-7-9-14)10-16-20(25)28-22(26-21(16)29)34-23(27-28)35(30,31)4-2/h5-12,25H,3-4,13H2,1-2H3

InChI Key

AYHLLUSKOLBVKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.03

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.061

Distribution Coefficient, logD

3.967

Water Solubility, LogSw

-4.41

Polar Surface Area

98.450

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with C356-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0580?
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What is the minimum amount of C356-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0580
  • 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 C356-0580 available by request