C355-0028 Screening compound: (6Z)-6-({3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C355-0028 Screening compound: (6Z)-6-({3-chloro-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-5-imino-3-methanesulfonyl-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C355-0028 Screening compound: (6Z)-6-({3-chloro-5-methoxy-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 C355-0028
(6Z)-6-({3-chloro-5-methoxy-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

C355-0028

Molecular Formula

C23H21ClN4O6S2 (C23 H21 ClN4 O6 S2)

Compound Name

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

SMILES

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

InChI

InChI=1S/C23H21ClN4O6S2/c1-13-6-4-5-7-17(13)33-8-9-34-19-16(24)11-14(12-18(19)32-2)10-15-20(25)28-22(26-21(15)29)35-27-23(28)36(3,30)31/h4-7,10-12,25H,8-9H2,1-3H3

InChI Key

HITFKEOMOVJKRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14750985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.03

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.986

Distribution Coefficient, logD

2.979

Water Solubility, LogSw

-3.62

Polar Surface Area

103.474

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with C355-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0028?
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What is the minimum amount of C355-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0028
  • 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 C355-0028 available by request