C356-0745 Screening compound: 4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 4-methoxybenzoate

C356-0745 Screening compound: 4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 4-methoxybenzoate
C356-0745 Screening compound: 4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C356-0745
4-{[(6E)-2-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 4-methoxybenzoate

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

C356-0745

Molecular Formula

C23H20N4O7S2 (C23 H20 N4 O7 S2)

Compound Name

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

IUPAC name

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

SMILES

CCS(C(SC1=NC(/C2=C/c(cc3)cc(OC)c3OC(c(cc3)ccc3OC)=O)=O)=NN1C2=N)(=O)=O

InChI

InChI=1S/C23H20N4O7S2/c1-4-36(30,31)23-26-27-19(24)16(20(28)25-22(27)35-23)11-13-5-10-17(18(12-13)33-3)34-21(29)14-6-8-15(32-2)9-7-14/h5-12,24H,4H2,1-3H3

InChI Key

QDSIGMBMJIONDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14752233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.57

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.632

Distribution Coefficient, logD

2.538

Water Solubility, LogSw

-3.15

Polar Surface Area

119.477

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C356-0745 in Drug Discovery

Included in Screening Libraries

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 C356-0745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C356-0745?
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What is the minimum amount of C356-0745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C356-0745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C356-0745
  • 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 C356-0745 available by request