C146-0673 Screening compound: 4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2,6-dimethoxyphenyl acetate

C146-0673 Screening compound: 4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2,6-dimethoxyphenyl acetate
C146-0673 Screening compound: 4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2,6-dimethoxyphenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C146-0673
4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2,6-dimethoxyphenyl acetate

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

C146-0673

Molecular Formula

C17H16N4O5S2 (C17 H16 N4 O5 S2)

Compound Name

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

IUPAC name

4-{[(6Z)-5-imino-3-(methylsulfanyl)-7-oxo-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-6-ylidene]methyl}-26-dimethoxyphenyl acetate

SMILES

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

InChI

InChI=1S/C17H16N4O5S2/c1-8(22)26-13-11(24-2)6-9(7-12(13)25-3)5-10-14(18)21-16(19-15(10)23)28-20-17(21)27-4/h5-7,18H,1-4H3

InChI Key

BWMCTRSBYBTKKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722311

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.563

Distribution Coefficient, logD

1.552

Water Solubility, LogSw

-2.22

Polar Surface Area

88.653

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C146-0673 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C146-0673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C146-0673?
Check Price and Availability of C146-0673, 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 C146-0673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C146-0673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C146-0673
  • 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 C146-0673 available by request