C356-0650 Screening compound: (6E)-2-(ethanesulfonyl)-6-({3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-0650 Screening compound: (6E)-2-(ethanesulfonyl)-6-({3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-0650 Screening compound: (6E)-2-(ethanesulfonyl)-6-({3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl}methylidene)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0650
(6E)-2-(ethanesulfonyl)-6-({3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl}methylidene)-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

C356-0650

Molecular Formula

C24H24N4O5S2 (C24 H24 N4 O5 S2)

Compound Name

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

IUPAC name

(6E)-2-(ethanesulfonyl)-6-({3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl}methylidene)-5-imino-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CCOc(cc(/C=C(\C(N(C(S1)=N2)N=C1S(CC)(=O)=O)=N)/C2=O)cc1)c1OCc1c(C)cccc1

InChI

InChI=1S/C24H24N4O5S2/c1-4-32-20-13-16(10-11-19(20)33-14-17-9-7-6-8-15(17)3)12-18-21(25)28-23(26-22(18)29)34-24(27-28)35(30,31)5-2/h6-13,25H,4-5,14H2,1-3H3

InChI Key

AJFBIZQTRKXIEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.61

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

3.454

Distribution Coefficient, logD

3.360

Water Solubility, LogSw

-3.64

Polar Surface Area

98.363

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with C356-0650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0650?
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What is the minimum amount of C356-0650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0650
  • 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 C356-0650 available by request