C355-0381 Screening compound: (6Z)-6-({3-chloro-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0381 Screening compound: (6Z)-6-({3-chloro-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0381 Screening compound: (6Z)-6-({3-chloro-4-[2-(2-methylphenoxy)ethoxy]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 C355-0381
(6Z)-6-({3-chloro-4-[2-(2-methylphenoxy)ethoxy]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

C355-0381

Molecular Formula

C22H19ClN4O5S2 (C22 H19 ClN4 O5 S2)

Compound Name

(6Z)-6-({3-chloro-4-[2-(2-methylphenoxy)ethoxy]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-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-5-imino-3-methanesulfonyl-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

Cc(cccc1)c1OCCOc(ccc(/C=C(/C(N(C(S(C)(=O)=O)=NS1)C1=N1)=N)\C1=O)c1)c1Cl

InChI

InChI=1S/C22H19ClN4O5S2/c1-13-5-3-4-6-17(13)31-9-10-32-18-8-7-14(12-16(18)23)11-15-19(24)27-21(25-20(15)28)33-26-22(27)34(2,29)30/h3-8,11-12,24H,9-10H2,1-2H3

InChI Key

ANPBFRNQHYXXAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751249

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

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.900

Distribution Coefficient, logD

2.893

Water Solubility, LogSw

-3.65

Polar Surface Area

95.757

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 C355-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0381?
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What is the minimum amount of C355-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0381
  • 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 C355-0381 available by request