8117-0017 Screening compound: 1-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-(4-nitrophenyl)piperazine

8117-0017 Screening compound: 1-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-(4-nitrophenyl)piperazine
8117-0017 Screening compound: 1-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-(4-nitrophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8117-0017
1-{5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl}-4-(4-nitrophenyl)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

8117-0017

Molecular Formula

C16H17N7O2 (C16 H17 N7 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc2ncnn2c(N(CC2)CCN2c(cc2)ccc2[N+]([O-])=O)c1

InChI

InChI=1S/C16H17N7O2/c1-12-10-15(22-16(19-12)17-11-18-22)21-8-6-20(7-9-21)13-2-4-14(5-3-13)23(24)25/h2-5,10-11H,6-9H2,1H3

InChI Key

DVNWDTVRFNZKOR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.434

Distribution Coefficient, logD

2.401

Water Solubility, LogSw

-2.44

Polar Surface Area

70.971

Acid Dissociation Constant (pKa)

24.61

Base Dissociation Constant (pKb)

6.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with 8117-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8117-0017?
Check Price and Availability of 8117-0017, 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 8117-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8117-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8117-0017
  • 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 8117-0017 available by request