C146-1191 Screening compound: (6Z)-3-(ethylsulfanyl)-5-imino-6-[(4-nitrophenyl)methylidene]-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C146-1191 Screening compound: (6Z)-3-(ethylsulfanyl)-5-imino-6-[(4-nitrophenyl)methylidene]-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C146-1191 Screening compound: (6Z)-3-(ethylsulfanyl)-5-imino-6-[(4-nitrophenyl)methylidene]-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C146-1191
(6Z)-3-(ethylsulfanyl)-5-imino-6-[(4-nitrophenyl)methylidene]-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

C146-1191

Molecular Formula

C14H11N5O3S2 (C14 H11 N5 O3 S2)

Compound Name

(6Z)-3-(ethylsulfanyl)-5-imino-6-[(4-nitrophenyl)methylidene]-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

IUPAC name

(6Z)-3-(ethylsulfanyl)-5-imino-6-[(4-nitrophenyl)methylidene]-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-7-one

SMILES

CCSC(N1C(/C2=C/c(cc3)ccc3[N+]([O-])=O)=N)=NSC1=NC2=O

InChI

InChI=1S/C14H11N5O3S2/c1-2-23-14-17-24-13-16-12(20)10(11(15)18(13)14)7-8-3-5-9(6-4-8)19(21)22/h3-7,15H,2H2,1H3

InChI Key

MDOOZEMEGGRIEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05029218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.549

Distribution Coefficient, logD

2.526

Water Solubility, LogSw

-2.75

Polar Surface Area

85.849

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

6.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with C146-1191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C146-1191?
Check Price and Availability of C146-1191, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C146-1191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C146-1191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C146-1191
  • 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 C146-1191 available by request