C356-0585 Screening compound: (6E)-2-(ethanesulfonyl)-6-({4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-0585 Screening compound: (6E)-2-(ethanesulfonyl)-6-({4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}methylidene)-5-imino-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-0585 Screening compound: (6E)-2-(ethanesulfonyl)-6-({4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}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 C356-0585
(6E)-2-(ethanesulfonyl)-6-({4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl}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

C356-0585

Molecular Formula

C22H19FN4O5S2 (C22 H19 FN4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCS(C(SC1=NC(/C2=C/c(cc3)cc(OC)c3OCc(cccc3)c3F)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C22H19FN4O5S2/c1-3-34(29,30)22-26-27-19(24)15(20(28)25-21(27)33-22)10-13-8-9-17(18(11-13)31-2)32-12-14-6-4-5-7-16(14)23/h4-11,24H,3,12H2,1-2H3

InChI Key

YQTUQBJNAJZQSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.803

Distribution Coefficient, logD

2.709

Water Solubility, LogSw

-3.41

Polar Surface Area

98.783

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 C356-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0585?
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What is the minimum amount of C356-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0585
  • 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 C356-0585 available by request