P161-0073 Screening compound: 6-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide

P161-0073 Screening compound: 6-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide
P161-0073 Screening compound: 6-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P161-0073
6-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide

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

P161-0073

Molecular Formula

C18H17FN6O3S (C18 H17 FN6 O3 S)

Compound Name

6-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-oxo-6H,7H-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide

IUPAC name

6-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-7-oxo-6H7H-[12]thiazolo[45-d]pyrimidine-3-carboxamide

SMILES

NC(c1nsc2c1N=CN(CC(N(CC1)CCN1c(cc1)ccc1F)=O)C2=O)=O

InChI

InChI=1S/C18H17FN6O3S/c19-11-1-3-12(4-2-11)23-5-7-24(8-6-23)13(26)9-25-10-21-14-15(17(20)27)22-29-16(14)18(25)28/h1-4,10H,5-9H2,(H2,20,27)

InChI Key

VBCHTEXHHHXJRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22595958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.200

Distribution Coefficient, logD

0.200

Water Solubility, LogSw

-1.89

Polar Surface Area

89.060

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

P161-0073 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 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 P161-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P161-0073?
Check Price and Availability of P161-0073, 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 P161-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P161-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P161-0073
  • 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 P161-0073 available by request