C355-0323 Screening compound: 4-{[(6Z)-5-imino-3-methanesulfonyl-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 3-methylbenzoate

C355-0323 Screening compound: 4-{[(6Z)-5-imino-3-methanesulfonyl-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 3-methylbenzoate
C355-0323 Screening compound: 4-{[(6Z)-5-imino-3-methanesulfonyl-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 3-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C355-0323
4-{[(6Z)-5-imino-3-methanesulfonyl-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 3-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

C355-0323

Molecular Formula

C22H18N4O6S2 (C22 H18 N4 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(Oc(ccc(/C=C(/C(N(C(S(C)(=O)=O)=NS2)C2=N2)=N)\C2=O)c2)c2OC)=O)c1

InChI

InChI=1S/C22H18N4O6S2/c1-12-5-4-6-14(9-12)20(28)32-16-8-7-13(11-17(16)31-2)10-15-18(23)26-21(24-19(15)27)33-25-22(26)34(3,29)30/h4-11,23H,1-3H3

InChI Key

KZNYHNNVVPVGAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.54

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.859

Distribution Coefficient, logD

1.852

Water Solubility, LogSw

-2.53

Polar Surface Area

109.114

Acid Dissociation Constant (pKa)

24.37

Base Dissociation Constant (pKb)

5.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with C355-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-0323?
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What is the minimum amount of C355-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-0323
  • 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 C355-0323 available by request