P013-2062 Screening compound: N-{1-[1-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]piperidin-4-yl}cyclohexanecarboxamide

P013-2062 Screening compound: N-{1-[1-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]piperidin-4-yl}cyclohexanecarboxamide
P013-2062 Screening compound: N-{1-[1-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]piperidin-4-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P013-2062
N-{1-[1-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]piperidin-4-yl}cyclohexanecarboxamide

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

P013-2062

Molecular Formula

C22H28FN5O2 (C22 H28 FN5 O2)

Compound Name

N-{1-[1-(4-fluoro-3-methylphenyl)-1H-1,2,3-triazole-4-carbonyl]piperidin-4-yl}cyclohexanecarboxamide

IUPAC name

N-{1-[1-(4-fluoro-3-methylphenyl)-1H-123-triazole-4-carbonyl]piperidin-4-yl}cyclohexanecarboxamide

SMILES

Cc(cc(cc1)-n2nnc(C(N(CC3)CCC3NC(C3CCCCC3)=O)=O)c2)c1F

InChI

InChI=1S/C22H28FN5O2/c1-15-13-18(7-8-19(15)23)28-14-20(25-26-28)22(30)27-11-9-17(10-12-27)24-21(29)16-5-3-2-4-6-16/h7-8,13-14,16-17H,2-6,9-12H2,1H3,(H,24,29)

InChI Key

JBVQBKJEIAKZTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558614

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.070

Distribution Coefficient, logD

3.070

Water Solubility, LogSw

-3.18

Polar Surface Area

67.391

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

P013-2062 in Drug Discovery

Included in Screening Libraries

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with P013-2062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P013-2062?
Check Price and Availability of P013-2062, 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 P013-2062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P013-2062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P013-2062
  • 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 P013-2062 available by request