F856-0339 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}piperidine-3-carboxamide

F856-0339 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}piperidine-3-carboxamide
F856-0339 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F856-0339
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}piperidine-3-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

F856-0339

Molecular Formula

C23H33N5O4S (C23 H33 N5 O4 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}piperidine-3-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-{[1-(2-methoxyethyl)-1H-123-benzotriazol-5-yl]sulfonyl}piperidine-3-carboxamide

SMILES

COCCn1nnc2c1ccc(S(N(CCC1)CC1C(NCCC1=CCCCC1)=O)(=O)=O)c2

InChI

InChI=1S/C23H33N5O4S/c1-32-15-14-28-22-10-9-20(16-21(22)25-26-28)33(30,31)27-13-5-8-19(17-27)23(29)24-12-11-18-6-3-2-4-7-18/h6,9-10,16,19H,2-5,7-8,11-15,17H2,1H3,(H,24,29)/t19-/m0/s1

InChI Key

JHXHFNPUPJYYJQ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27200118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.886

Distribution Coefficient, logD

1.886

Water Solubility, LogSw

-2.64

Polar Surface Area

90.348

Acid Dissociation Constant (pKa)

13.99

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.90

F856-0339 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with F856-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F856-0339?
Check Price and Availability of F856-0339, 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 F856-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F856-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F856-0339
  • 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 F856-0339 available by request