C146-0535 Screening compound: (6Z)-5-imino-6-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C146-0535 Screening compound: (6Z)-5-imino-6-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C146-0535 Screening compound: (6Z)-5-imino-6-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C146-0535
(6Z)-5-imino-6-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}-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

C146-0535

Molecular Formula

C17H18N4O3S2 (C17 H18 N4 O3 S2)

Compound Name

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

IUPAC name

(6Z)-5-imino-6-{[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}-3-(methylsulfanyl)-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CC(C)Oc(ccc(/C=C(/C(N(C(SC)=NS1)C1=N1)=N)\C1=O)c1)c1OC

InChI

InChI=1S/C17H18N4O3S2/c1-9(2)24-12-6-5-10(8-13(12)23-3)7-11-14(18)21-16(19-15(11)22)26-20-17(21)25-4/h5-9,18H,1-4H3

InChI Key

XLLODJNDDIBESR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.426

Distribution Coefficient, logD

2.414

Water Solubility, LogSw

-2.86

Polar Surface Area

66.987

Acid Dissociation Constant (pKa)

28.56

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with C146-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C146-0535?
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What is the minimum amount of C146-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C146-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C146-0535
  • 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 C146-0535 available by request