C356-0070 Screening compound: 3-(5-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoic acid

C356-0070 Screening compound: 3-(5-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoic acid
C356-0070 Screening compound: 3-(5-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0070
3-(5-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoic acid

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

C356-0070

Molecular Formula

C18H12N4O6S2 (C18 H12 N4 O6 S2)

Compound Name

3-(5-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoic acid

IUPAC name

3-(5-{[(6E)-5-imino-2-methanesulfonyl-7-oxo-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}furan-2-yl)benzoic acid

SMILES

CS(C(SC1=NC(/C2=C/c3ccc(-c4cc(C(O)=O)ccc4)o3)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C18H12N4O6S2/c1-30(26,27)18-21-22-14(19)12(15(23)20-17(22)29-18)8-11-5-6-13(28-11)9-3-2-4-10(7-9)16(24)25/h2-8,19H,1H3,(H,24,25)

InChI Key

WGBQLYKXLJISIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751825

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.45

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.916

Distribution Coefficient, logD

-1.596

Water Solubility, LogSw

-2.54

Polar Surface Area

120.529

Acid Dissociation Constant (pKa)

3.89

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C356-0070 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C356-0070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0070?
Check Price and Availability of C356-0070, 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 C356-0070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0070
  • 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 C356-0070 available by request