C301-0439 Screening compound: 7-[4-(2-fluorophenyl)piperazino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine

C301-0439 Screening compound: 7-[4-(2-fluorophenyl)piperazino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine
C301-0439 Screening compound: 7-[4-(2-fluorophenyl)piperazino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0439
7-[4-(2-fluorophenyl)piperazino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine

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

C301-0439

Molecular Formula

C16H17FN6 (C16 H17 FN6)

Compound Name

7-[4-(2-fluorophenyl)piperazino]-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

1-(2-fluorophenyl)-4-{5-methyl-[124]triazolo[15-a]pyrimidin-7-yl}piperazine

SMILES

Cc1nc2ncnn2c(N(CC2)CCN2c(cccc2)c2F)c1

InChI

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

InChI Key

DNSQJWKPLYFJIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06611878

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

2.565

Distribution Coefficient, logD

2.532

Water Solubility, LogSw

-2.53

Polar Surface Area

37.289

Acid Dissociation Constant (pKa)

24.61

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

C301-0439 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0439?
Check Price and Availability of C301-0439, 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 C301-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0439
  • 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 C301-0439 available by request