C146-0701 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl benzoate

C146-0701 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl benzoate
C146-0701 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C146-0701
2-ethoxy-4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl benzoate

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

C146-0701

Molecular Formula

C22H18N4O4S2 (C22 H18 N4 O4 S2)

Compound Name

2-ethoxy-4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl benzoate

IUPAC name

2-ethoxy-4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-6-ylidene]methyl}phenyl benzoate

SMILES

CCOc(cc(/C=C(/C(N(C(SC)=NS1)C1=N1)=N)\C1=O)cc1)c1OC(c1ccccc1)=O

InChI

InChI=1S/C22H18N4O4S2/c1-3-29-17-12-13(9-10-16(17)30-20(28)14-7-5-4-6-8-14)11-15-18(23)26-21(24-19(15)27)32-25-22(26)31-2/h4-12,23H,3H2,1-2H3

InChI Key

VDILCCFHOZOEMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

3.200

Water Solubility, LogSw

-3.51

Polar Surface Area

80.143

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with C146-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C146-0701?
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What is the minimum amount of C146-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C146-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C146-0701
  • 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 C146-0701 available by request