F058-2003 Screening compound: N-cyclohexyl-1-propyl-1H-1,2,3-benzotriazole-5-carboxamide

F058-2003 Screening compound: N-cyclohexyl-1-propyl-1H-1,2,3-benzotriazole-5-carboxamide
F058-2003 Screening compound: N-cyclohexyl-1-propyl-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F058-2003
N-cyclohexyl-1-propyl-1H-1,2,3-benzotriazole-5-carboxamide

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

F058-2003

Molecular Formula

C16H22N4O (C16 H22 N4 O)

Compound Name

N-cyclohexyl-1-propyl-1H-1,2,3-benzotriazole-5-carboxamide

IUPAC name

N-cyclohexyl-1-propyl-1H-123-benzotriazole-5-carboxamide

SMILES

CCCn1nnc2c1ccc(C(NC1CCCCC1)=O)c2

InChI

InChI=1S/C16H22N4O/c1-2-10-20-15-9-8-12(11-14(15)18-19-20)16(21)17-13-6-4-3-5-7-13/h8-9,11,13H,2-7,10H2,1H3,(H,17,21)

InChI Key

FYHMNRVZBUEYEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27097245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.915

Distribution Coefficient, logD

2.915

Water Solubility, LogSw

-3.23

Polar Surface Area

50.053

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

F058-2003 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with F058-2003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F058-2003?
Check Price and Availability of F058-2003, 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 F058-2003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F058-2003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F058-2003
  • 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 F058-2003 available by request