C355-0399 Screening compound: (6Z)-6-({4-[(4-fluorophenyl)methoxy]-3-methoxy-5-(prop-2-en-1-yl)phenyl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0399 Screening compound: (6Z)-6-({4-[(4-fluorophenyl)methoxy]-3-methoxy-5-(prop-2-en-1-yl)phenyl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0399 Screening compound: (6Z)-6-({4-[(4-fluorophenyl)methoxy]-3-methoxy-5-(prop-2-en-1-yl)phenyl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0399
(6Z)-6-({4-[(4-fluorophenyl)methoxy]-3-methoxy-5-(prop-2-en-1-yl)phenyl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-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

C355-0399

Molecular Formula

C24H21FN4O5S2 (C24 H21 FN4 O5 S2)

Compound Name

(6Z)-6-({4-[(4-fluorophenyl)methoxy]-3-methoxy-5-(prop-2-en-1-yl)phenyl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-6-({4-[(4-fluorophenyl)methoxy]-3-methoxy-5-(prop-2-en-1-yl)phenyl}methylidene)-5-imino-3-methanesulfonyl-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

COc(cc(/C=C(/C(N(C(S(C)(=O)=O)=NS1)C1=N1)=N)\C1=O)cc1CC=C)c1OCc(cc1)ccc1F

InChI

InChI=1S/C24H21FN4O5S2/c1-4-5-16-10-15(12-19(33-2)20(16)34-13-14-6-8-17(25)9-7-14)11-18-21(26)29-23(27-22(18)30)35-28-24(29)36(3,31)32/h4,6-12,26H,1,5,13H2,2-3H3

InChI Key

LCDISFHVNFLIQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.59

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

3.038

Distribution Coefficient, logD

3.031

Water Solubility, LogSw

-3.49

Polar Surface Area

96.051

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C355-0399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0399?
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What is the minimum amount of C355-0399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0399
  • 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 C355-0399 available by request