D150-0013 Screening compound: 1-(4-fluorophenyl)-4-{7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl}piperazine

D150-0013 Screening compound: 1-(4-fluorophenyl)-4-{7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl}piperazine
D150-0013 Screening compound: 1-(4-fluorophenyl)-4-{7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D150-0013
1-(4-fluorophenyl)-4-{7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl}piperazine

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

D150-0013

Molecular Formula

C16H17FN6 (C16 H17 FN6)

Compound Name

1-(4-fluorophenyl)-4-{7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl}piperazine

IUPAC name

1-(4-fluorophenyl)-4-{7-methyl-[124]triazolo[43-a]pyrimidin-5-yl}piperazine

SMILES

Cc1nc2nncn2c(N(CC2)CCN2c(cc2)ccc2F)c1

InChI

InChI=1S/C16H17FN6/c1-12-10-15(23-11-18-20-16(23)19-12)22-8-6-21(7-9-22)14-4-2-13(17)3-5-14/h2-5,10-11H,6-9H2,1H3

InChI Key

AWAZQBFUPVYOCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.35

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.201

Distribution Coefficient, logD

2.180

Water Solubility, LogSw

-2.15

Polar Surface Area

37.768

Acid Dissociation Constant (pKa)

23.26

Base Dissociation Constant (pKb)

6.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D150-0013 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D150-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D150-0013?
Check Price and Availability of D150-0013, 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 D150-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D150-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D150-0013
  • 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 D150-0013 available by request