C146-0837 Screening compound: (6Z)-6-{[3-bromo-4-(2-phenoxyethoxy)phenyl]methylidene}-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one

C146-0837 Screening compound: (6Z)-6-{[3-bromo-4-(2-phenoxyethoxy)phenyl]methylidene}-5-imino-3-(methylsulfanyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-7-one
C146-0837 Screening compound: (6Z)-6-{[3-bromo-4-(2-phenoxyethoxy)phenyl]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 C146-0837
(6Z)-6-{[3-bromo-4-(2-phenoxyethoxy)phenyl]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

C146-0837

Molecular Formula

C21H17BrN4O3S2 (C21 H17 BrN4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CSC(N1C(/C2=C/c(cc3)cc(Br)c3OCCOc3ccccc3)=N)=NSC1=NC2=O

InChI

InChI=1S/C21H17BrN4O3S2/c1-30-21-25-31-20-24-19(27)15(18(23)26(20)21)11-13-7-8-17(16(22)12-13)29-10-9-28-14-5-3-2-4-6-14/h2-8,11-12,23H,9-10H2,1H3

InChI Key

CYIQEMNWFNGYCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.985

Distribution Coefficient, logD

3.973

Water Solubility, LogSw

-4.09

Polar Surface Area

67.118

Acid Dissociation Constant (pKa)

30.46

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with C146-0837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C146-0837?
Check Price and Availability of C146-0837, 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 C146-0837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C146-0837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C146-0837
  • 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 C146-0837 available by request