C355-0335 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-methanesulfonyl-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 4-methylbenzoate

C355-0335 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-methanesulfonyl-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 4-methylbenzoate
C355-0335 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-3-methanesulfonyl-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0335
2-ethoxy-4-{[(6Z)-5-imino-3-methanesulfonyl-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 4-methylbenzoate

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

C355-0335

Molecular Formula

C23H20N4O6S2 (C23 H20 N4 O6 S2)

Compound Name

2-ethoxy-4-{[(6Z)-5-imino-3-methanesulfonyl-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 4-methylbenzoate

IUPAC name

2-ethoxy-4-{[(6Z)-5-imino-3-methanesulfonyl-7-oxo-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-6-ylidene]methyl}phenyl 4-methylbenzoate

SMILES

CCOc(cc(/C=C(/C(N(C(S(C)(=O)=O)=NS1)C1=N1)=N)\C1=O)cc1)c1OC(c1ccc(C)cc1)=O

InChI

InChI=1S/C23H20N4O6S2/c1-4-32-18-12-14(7-10-17(18)33-21(29)15-8-5-13(2)6-9-15)11-16-19(24)27-22(25-20(16)28)34-26-23(27)35(3,30)31/h5-12,24H,4H2,1-3H3

InChI Key

VUHWNSHGDWACJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.57

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.177

Distribution Coefficient, logD

2.170

Water Solubility, LogSw

-2.92

Polar Surface Area

108.694

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C355-0335 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 C355-0335 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0335?
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What is the minimum amount of C355-0335 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0335
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0335
  • 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 C355-0335 available by request