C277-4689 Screening compound: (6Z)-6-({4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxyphenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C277-4689 Screening compound: (6Z)-6-({4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxyphenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C277-4689 Screening compound: (6Z)-6-({4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxyphenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C277-4689
(6Z)-6-({4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxyphenyl}methylidene)-5-imino-3-(methylsulfanyl)-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

C277-4689

Molecular Formula

C23H21ClN4O5S2 (C23 H21 ClN4 O5 S2)

Compound Name

(6Z)-6-({4-[2-(2-chlorophenoxy)ethoxy]-3,5-dimethoxyphenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-6-({4-[2-(2-chlorophenoxy)ethoxy]-35-dimethoxyphenyl}methylidene)-5-imino-3-(methylsulfanyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

COc1cc(/C=C(/C(N(C(SC)=NS2)C2=N2)=N)\C2=O)cc(OC)c1OCCOc(cccc1)c1Cl

InChI

InChI=1S/C23H21ClN4O5S2/c1-30-17-11-13(10-14-20(25)28-22(26-21(14)29)35-27-23(28)34-3)12-18(31-2)19(17)33-9-8-32-16-7-5-4-6-15(16)24/h4-7,10-12,25H,8-9H2,1-3H3

InChI Key

UUQMLOFHQQRDJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14740626

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.03

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.545

Distribution Coefficient, logD

3.533

Water Solubility, LogSw

-3.86

Polar Surface Area

82.552

Acid Dissociation Constant (pKa)

30.46

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with C277-4689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C277-4689?
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What is the minimum amount of C277-4689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C277-4689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C277-4689
  • 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 C277-4689 available by request