3797-0619 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-7-oxo-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate

3797-0619 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-7-oxo-2-(propan-2-yl)-5H,6H,7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6-ylidene]methyl}phenyl 4-methylbenzene-1-sulfonate
3797-0619 Screening compound: 2-ethoxy-4-{[(6Z)-5-imino-7-oxo-2-(propan-2-yl)-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 3797-0619
2-ethoxy-4-{[(6Z)-5-imino-7-oxo-2-(propan-2-yl)-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

3797-0619

Molecular Formula

C24H24N4O5S2 (C24 H24 N4 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(/C=C(/C(N1N=C(C(C)C)SC1=N1)=N)\C1=O)cc1)c1OS(c1ccc(C)cc1)(=O)=O

InChI

InChI=1S/C24H24N4O5S2/c1-5-32-20-13-16(8-11-19(20)33-35(30,31)17-9-6-15(4)7-10-17)12-18-21(25)28-24(26-22(18)29)34-23(27-28)14(2)3/h6-14,25H,5H2,1-4H3

InChI Key

QCJXVXBCSPXMAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02997660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.61

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.974

Distribution Coefficient, logD

2.205

Water Solubility, LogSw

-3.92

Polar Surface Area

98.077

Acid Dissociation Constant (pKa)

22.41

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3797-0619 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3797-0619?
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What is the minimum amount of 3797-0619 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3797-0619
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3797-0619
  • 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 3797-0619 available by request