C356-0766 Screening compound: 2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-6-ethoxyphenyl benzoate

C356-0766 Screening compound: 2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-6-ethoxyphenyl benzoate
C356-0766 Screening compound: 2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-6-ethoxyphenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0766
2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-6-ethoxyphenyl benzoate

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

C356-0766

Molecular Formula

C23H19ClN4O6S2 (C23 H19 ClN4 O6 S2)

Compound Name

2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-6-ethoxyphenyl benzoate

IUPAC name

2-chloro-4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}-6-ethoxyphenyl benzoate

SMILES

CCOc1cc(/C=C(\C(N(C(S2)=N3)N=C2S(CC)(=O)=O)=N)/C3=O)cc(Cl)c1OC(c1ccccc1)=O

InChI

InChI=1S/C23H19ClN4O6S2/c1-3-33-17-12-13(11-16(24)18(17)34-21(30)14-8-6-5-7-9-14)10-15-19(25)28-22(26-20(15)29)35-23(27-28)36(31,32)4-2/h5-12,25H,3-4H2,1-2H3

InChI Key

OZRTVRAUOUQICM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

547.01

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.861

Distribution Coefficient, logD

3.767

Water Solubility, LogSw

-4.51

Polar Surface Area

111.600

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C356-0766 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleoside Mimetics Library (2197 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C356-0766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0766?
Check Price and Availability of C356-0766, 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 C356-0766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0766
  • 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 C356-0766 available by request