3797-0527 Screening compound: 4-{[(6Z)-5-imino-7-oxo-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 4-methylbenzene-1-sulfonate

3797-0527 Screening compound: 4-{[(6Z)-5-imino-7-oxo-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 4-methylbenzene-1-sulfonate
3797-0527 Screening compound: 4-{[(6Z)-5-imino-7-oxo-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 4-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3797-0527
4-{[(6Z)-5-imino-7-oxo-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 4-methylbenzene-1-sulfonate

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

3797-0527

Molecular Formula

C23H22N4O5S2 (C23 H22 N4 O5 S2)

Compound Name

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

IUPAC name

4-{[(6Z)-5-imino-7-oxo-2-(propan-2-yl)-5H6H7H-[134]thiadiazolo[32-a]pyrimidin-6-ylidene]methyl}-2-methoxyphenyl 4-methylbenzene-1-sulfonate

SMILES

CC(C)C(SC1=NC(/C2=C\c(cc3)cc(OC)c3OS(c3ccc(C)cc3)(=O)=O)=O)=NN1C2=N

InChI

InChI=1S/C23H22N4O5S2/c1-13(2)22-26-27-20(24)17(21(28)25-23(27)33-22)11-15-7-10-18(19(12-15)31-4)32-34(29,30)16-8-5-14(3)6-9-16/h5-13,24H,1-4H3

InChI Key

ABNIHINOWXEOIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02987574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.828

Distribution Coefficient, logD

2.060

Water Solubility, LogSw

-3.96

Polar Surface Area

98.497

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with 3797-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3797-0527?
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What is the minimum amount of 3797-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3797-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3797-0527
  • 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 3797-0527 available by request