C355-1025 Screening compound: 4-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 4-fluorobenzoate

C355-1025 Screening compound: 4-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 4-fluorobenzoate
C355-1025 Screening compound: 4-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 4-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-1025
4-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 4-fluorobenzoate

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

C355-1025

Molecular Formula

C23H19FN4O5S2 (C23 H19 FN4 O5 S2)

Compound Name

4-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 4-fluorobenzoate

IUPAC name

4-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-6-ylidene]methyl}phenyl 4-fluorobenzoate

SMILES

CC(C)CS(C(N1C(/C2=C/c(cc3)ccc3OC(c(cc3)ccc3F)=O)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C23H19FN4O5S2/c1-13(2)12-35(31,32)23-27-34-22-26-20(29)18(19(25)28(22)23)11-14-3-9-17(10-4-14)33-21(30)15-5-7-16(24)8-6-15/h3-11,13,25H,12H2,1-2H3

InChI Key

COCXCQJGLMVZHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

514.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.311

Distribution Coefficient, logD

3.310

Water Solubility, LogSw

-3.79

Polar Surface Area

100.685

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with C355-1025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-1025?
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What is the minimum amount of C355-1025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-1025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-1025
  • 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 C355-1025 available by request