C355-0199 Screening compound: (6Z)-6-({3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0199 Screening compound: (6Z)-6-({3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0199 Screening compound: (6Z)-6-({3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]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 C355-0199
(6Z)-6-({3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]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

C355-0199

Molecular Formula

C22H19ClN4O5S2 (C22 H19 ClN4 O5 S2)

Compound Name

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

IUPAC name

(6Z)-6-({3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl}methylidene)-5-imino-3-methanesulfonyl-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

Cc1ccc(COc(c(OC)cc(/C=C(/C(N(C(S(C)(=O)=O)=NS2)C2=N2)=N)\C2=O)c2)c2Cl)cc1

InChI

InChI=1S/C22H19ClN4O5S2/c1-12-4-6-13(7-5-12)11-32-18-16(23)9-14(10-17(18)31-2)8-15-19(24)27-21(25-20(15)28)33-26-22(27)34(3,29)30/h4-10,24H,11H2,1-3H3

InChI Key

RJMBRJJUCYJDRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.168

Distribution Coefficient, logD

3.161

Water Solubility, LogSw

-3.58

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

18.20

References: we are preparing a list of scientific research reports with C355-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0199?
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What is the minimum amount of C355-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0199
  • 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 C355-0199 available by request