F517-0068 Screening compound: N-[2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)phenyl]pentanamide

F517-0068 Screening compound: N-[2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)phenyl]pentanamide
F517-0068 Screening compound: N-[2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)phenyl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F517-0068
N-[2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)phenyl]pentanamide

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

F517-0068

Molecular Formula

C12H14ClN5O (C12 H14 ClN5 O)

Compound Name

N-[2-chloro-5-(1H-1,2,3,4-tetrazol-1-yl)phenyl]pentanamide

IUPAC name

N-[2-chloro-5-(1H-1234-tetrazol-1-yl)phenyl]pentanamide

SMILES

CCCCC(Nc(cc(cc1)-n2nnnc2)c1Cl)=O

InChI

InChI=1S/C12H14ClN5O/c1-2-3-4-12(19)15-11-7-9(5-6-10(11)13)18-8-14-16-17-18/h5-8H,2-4H2,1H3,(H,15,19)

InChI Key

RUNRJURYSYCICD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27171704

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.73

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.199

Distribution Coefficient, logD

2.199

Water Solubility, LogSw

-3.25

Polar Surface Area

62.455

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

-1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F517-0068 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 F517-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F517-0068?
Check Price and Availability of F517-0068, 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 F517-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F517-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F517-0068
  • 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 F517-0068 available by request