C356-0185 Screening compound: (6E)-6-({4-[(3,4-dichlorophenyl)methoxy]phenyl}methylidene)-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

C356-0185 Screening compound: (6E)-6-({4-[(3,4-dichlorophenyl)methoxy]phenyl}methylidene)-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
C356-0185 Screening compound: (6E)-6-({4-[(3,4-dichlorophenyl)methoxy]phenyl}methylidene)-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0185
(6E)-6-({4-[(3,4-dichlorophenyl)methoxy]phenyl}methylidene)-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-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

C356-0185

Molecular Formula

C20H14Cl2N4O4S2 (C20 H14 Cl2 N4 O4 S2)

Compound Name

(6E)-6-({4-[(3,4-dichlorophenyl)methoxy]phenyl}methylidene)-5-imino-2-methanesulfonyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

IUPAC name

(6E)-6-({4-[(34-dichlorophenyl)methoxy]phenyl}methylidene)-5-imino-2-methanesulfonyl-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-7-one

SMILES

CS(C(SC1=NC(/C2=C/c(cc3)ccc3OCc(cc3)cc(Cl)c3Cl)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C20H14Cl2N4O4S2/c1-32(28,29)20-25-26-17(23)14(18(27)24-19(26)31-20)8-11-2-5-13(6-3-11)30-10-12-4-7-15(21)16(22)9-12/h2-9,23H,10H2,1H3

InChI Key

UXCAUGVIWIVVKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.719

Distribution Coefficient, logD

3.625

Water Solubility, LogSw

-4.06

Polar Surface Area

91.779

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

C356-0185 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C356-0185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0185?
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What is the minimum amount of C356-0185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0185
  • 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 C356-0185 available by request