C355-1337 Screening compound: 2-chloro-4-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl methanesulfonate

C355-1337 Screening compound: 2-chloro-4-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl methanesulfonate
C355-1337 Screening compound: 2-chloro-4-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-1337
2-chloro-4-{[(6Z)-5-imino-7-oxo-3-(propane-2-sulfonyl)-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}phenyl 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

C355-1337

Molecular Formula

C16H15ClN4O6S3 (C16 H15 ClN4 O6 S3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)S(C(N1C(/C2=C/c(cc3)cc(Cl)c3OS(C)(=O)=O)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C16H15ClN4O6S3/c1-8(2)30(25,26)16-20-28-15-19-14(22)10(13(18)21(15)16)6-9-4-5-12(11(17)7-9)27-29(3,23)24/h4-8,18H,1-3H3

InChI Key

UQZWBKOBCDYBPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.97

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.432

Distribution Coefficient, logD

1.432

Water Solubility, LogSw

-2.94

Polar Surface Area

117.278

Acid Dissociation Constant (pKa)

19.65

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C355-1337 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C355-1337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-1337?
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What is the minimum amount of C355-1337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-1337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-1337
  • 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 C355-1337 available by request