G199-1788 Screening compound: 4-[({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-2-(furan-2-yl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

G199-1788 Screening compound: 4-[({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-2-(furan-2-yl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one
G199-1788 Screening compound: 4-[({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-2-(furan-2-yl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G199-1788
4-[({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-2-(furan-2-yl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

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

G199-1788

Molecular Formula

C17H13N7O3S2 (C17 H13 N7 O3 S2)

Compound Name

4-[({2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-2-(furan-2-yl)-6H,7H-pyrazolo[1,5-a][1,3,5]triazin-7-one

IUPAC name

4-[({2-ethyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methyl)sulfanyl]-2-(furan-2-yl)-6H7H-pyrazolo[15-a][135]triazin-7-one

SMILES

CCC(SC1=NC(CSC(N2N3)=NC(c4ccco4)=NC2=CC3=O)=C2)=NN1C2=O

InChI

InChI=1S/C17H13N7O3S2/c1-2-13-22-24-14(26)6-9(18-17(24)29-13)8-28-16-20-15(10-4-3-5-27-10)19-11-7-12(25)21-23(11)16/h3-7H,2,8H2,1H3,(H,21,25)

InChI Key

NJEXYZQANOYMSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14984837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.603

Distribution Coefficient, logD

1.600

Water Solubility, LogSw

-2.39

Polar Surface Area

96.719

Acid Dissociation Constant (pKa)

13.16

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with G199-1788 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G199-1788?
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What is the minimum amount of G199-1788 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G199-1788
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G199-1788
  • 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 G199-1788 available by request