C355-1033 Screening compound: 4-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 3-methylbenzoate

C355-1033 Screening compound: 4-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-7-oxo-5H,6H,7H-[1,2,4]thiadiazolo[4,5-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 3-methylbenzoate
C355-1033 Screening compound: 4-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-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 C355-1033
4-{[(6Z)-5-imino-3-(2-methylpropanesulfonyl)-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

C355-1033

Molecular Formula

C25H24N4O6S2 (C25 H24 N4 O6 S2)

Compound Name

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

SMILES

CC(C)CS(C(N1C(/C2=C/c(cc3)cc(OC)c3OC(c3cc(C)ccc3)=O)=N)=NSC1=NC2=O)(=O)=O

InChI

InChI=1S/C25H24N4O6S2/c1-14(2)13-37(32,33)25-28-36-24-27-22(30)18(21(26)29(24)25)11-16-8-9-19(20(12-16)34-4)35-23(31)17-7-5-6-15(3)10-17/h5-12,14,26H,13H2,1-4H3

InChI Key

IHGNEDGPYDERTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14751613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.62

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

3.494

Water Solubility, LogSw

-3.88

Polar Surface Area

108.402

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with C355-1033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C355-1033?
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What is the minimum amount of C355-1033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C355-1033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C355-1033
  • 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 C355-1033 available by request