C355-1100 Screening compound: (6Z)-5-imino-6-{[4-(2-phenoxyethoxy)phenyl]methylidene}-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-1100 Screening compound: (6Z)-5-imino-6-{[4-(2-phenoxyethoxy)phenyl]methylidene}-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-1100 Screening compound: (6Z)-5-imino-6-{[4-(2-phenoxyethoxy)phenyl]methylidene}-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-1100
(6Z)-5-imino-6-{[4-(2-phenoxyethoxy)phenyl]methylidene}-3-(propane-2-sulfonyl)-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

C355-1100

Molecular Formula

C23H22N4O5S2 (C23 H22 N4 O5 S2)

Compound Name

(6Z)-5-imino-6-{[4-(2-phenoxyethoxy)phenyl]methylidene}-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-5-imino-6-{[4-(2-phenoxyethoxy)phenyl]methylidene}-3-(propane-2-sulfonyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CC(C)S(C(N1C(/C2=C/c(cc3)ccc3OCCOc3ccccc3)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C23H22N4O5S2/c1-15(2)34(29,30)23-26-33-22-25-21(28)19(20(24)27(22)23)14-16-8-10-18(11-9-16)32-13-12-31-17-6-4-3-5-7-17/h3-11,14-15,24H,12-13H2,1-2H3

InChI Key

XNCQFUGXJAKJGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751633

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

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

3.086

Distribution Coefficient, logD

3.086

Water Solubility, LogSw

-3.43

Polar Surface Area

95.607

Acid Dissociation Constant (pKa)

19.65

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with C355-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-1100?
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What is the minimum amount of C355-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-1100
  • 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 C355-1100 available by request