3797-0327 Screening compound: 4-{[(6Z)-5-imino-7-oxo-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate

3797-0327 Screening compound: 4-{[(6Z)-5-imino-7-oxo-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
3797-0327 Screening compound: 4-{[(6Z)-5-imino-7-oxo-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3797-0327
4-{[(6Z)-5-imino-7-oxo-2-propyl-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 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

3797-0327

Molecular Formula

C22H20N4O4S2 (C22 H20 N4 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCC(SC1=NC(/C2=C\c(cc3)ccc3OS(c3ccc(C)cc3)(=O)=O)=O)=NN1C2=N

InChI

InChI=1S/C22H20N4O4S2/c1-3-4-19-25-26-20(23)18(21(27)24-22(26)31-19)13-15-7-9-16(10-8-15)30-32(28,29)17-11-5-14(2)6-12-17/h5-13,23H,3-4H2,1-2H3

InChI Key

XYDORVULCZGAEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02916932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.200

Distribution Coefficient, logD

2.725

Water Solubility, LogSw

-4.10

Polar Surface Area

90.684

Acid Dissociation Constant (pKa)

23.95

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 3797-0327 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3797-0327?
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What is the minimum amount of 3797-0327 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3797-0327
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3797-0327
  • 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 3797-0327 available by request