Z999-0001 Screening compound: 3-(benzenesulfonyl)-7-methyl-2-(methylsulfanyl)-4H,5H-pyrazolo[1,5-a]pyrimidin-5-one

Z999-0001 Screening compound: 3-(benzenesulfonyl)-7-methyl-2-(methylsulfanyl)-4H,5H-pyrazolo[1,5-a]pyrimidin-5-one
Z999-0001 Screening compound: 3-(benzenesulfonyl)-7-methyl-2-(methylsulfanyl)-4H,5H-pyrazolo[1,5-a]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Z999-0001
3-(benzenesulfonyl)-7-methyl-2-(methylsulfanyl)-4H,5H-pyrazolo[1,5-a]pyrimidin-5-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

Z999-0001

Molecular Formula

C14H13N3O3S2 (C14 H13 N3 O3 S2)

Compound Name

3-(benzenesulfonyl)-7-methyl-2-(methylsulfanyl)-4H,5H-pyrazolo[1,5-a]pyrimidin-5-one

IUPAC name

3-(benzenesulfonyl)-7-methyl-2-(methylsulfanyl)-4H5H-pyrazolo[15-a]pyrimidin-5-one

SMILES

CC(n(c(N1)c2S(c3ccccc3)(=O)=O)nc2SC)=CC1=O

InChI

InChI=1S/C14H13N3O3S2/c1-9-8-11(18)15-13-12(14(21-2)16-17(9)13)22(19,20)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,15,18)

InChI Key

DXSLPSVGQQDBAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27641306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.757

Distribution Coefficient, logD

1.747

Water Solubility, LogSw

-2.45

Polar Surface Area

67.161

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

-3.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

Z999-0001 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Z999-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z999-0001?
Check Price and Availability of Z999-0001, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Z999-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z999-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z999-0001
  • 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 Z999-0001 available by request