C355-0637 Screening compound: 4-{[(6Z)-3-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-ethoxyphenyl methanesulfonate

C355-0637 Screening compound: 4-{[(6Z)-3-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-ethoxyphenyl methanesulfonate
C355-0637 Screening compound: 4-{[(6Z)-3-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-ethoxyphenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0637
4-{[(6Z)-3-(ethanesulfonyl)-5-imino-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-ethoxyphenyl methanesulfonate

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

C355-0637

Molecular Formula

C17H18N4O7S3 (C17 H18 N4 O7 S3)

Compound Name

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

IUPAC name

4-{[(6Z)-3-(ethanesulfonyl)-5-imino-7-oxo-5H6H7H-[124]thiadiazolo[45-a]pyrimidin-6-ylidene]methyl}-2-ethoxyphenyl methanesulfonate

SMILES

CCOc(cc(/C=C(/C(N(C(S(CC)(=O)=O)=NS1)C1=N1)=N)\C1=O)cc1)c1OS(C)(=O)=O

InChI

InChI=1S/C17H18N4O7S3/c1-4-27-13-9-10(6-7-12(13)28-30(3,23)24)8-11-14(18)21-16(19-15(11)22)29-20-17(21)31(25,26)5-2/h6-9,18H,4-5H2,1-3H3

InChI Key

QBTTWKREAPXTEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.55

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.357

Distribution Coefficient, logD

0.356

Water Solubility, LogSw

-2.40

Polar Surface Area

123.753

Acid Dissociation Constant (pKa)

22.01

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

C355-0637 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 C355-0637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0637?
Check Price and Availability of C355-0637, 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 C355-0637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0637
  • 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 C355-0637 available by request