F858-0351 Screening compound: N-[(2-ethoxyphenyl)methyl]-1-{[1-(propan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}piperidine-2-carboxamide

F858-0351 Screening compound: N-[(2-ethoxyphenyl)methyl]-1-{[1-(propan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}piperidine-2-carboxamide
F858-0351 Screening compound: N-[(2-ethoxyphenyl)methyl]-1-{[1-(propan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}piperidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F858-0351
N-[(2-ethoxyphenyl)methyl]-1-{[1-(propan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}piperidine-2-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

F858-0351

Molecular Formula

C24H31N5O4S (C24 H31 N5 O4 S)

Compound Name

N-[(2-ethoxyphenyl)methyl]-1-{[1-(propan-2-yl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}piperidine-2-carboxamide

IUPAC name

N-[(2-ethoxyphenyl)methyl]-1-{[1-(propan-2-yl)-1H-123-benzotriazol-5-yl]sulfonyl}piperidine-2-carboxamide

SMILES

CCOc1c(CNC(C(CCCC2)N2S(c(cc2)cc3c2n(C(C)C)nn3)(=O)=O)=O)cccc1

InChI

InChI=1S/C24H31N5O4S/c1-4-33-23-11-6-5-9-18(23)16-25-24(30)22-10-7-8-14-28(22)34(31,32)19-12-13-21-20(15-19)26-27-29(21)17(2)3/h5-6,9,11-13,15,17,22H,4,7-8,10,14,16H2,1-3H3,(H,25,30)/t22-/m0/s1

InChI Key

QELJJJQVJNPLEG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27200228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.328

Distribution Coefficient, logD

3.328

Water Solubility, LogSw

-3.68

Polar Surface Area

90.210

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

F858-0351 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 F858-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F858-0351?
Check Price and Availability of F858-0351, 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 F858-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F858-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F858-0351
  • 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 F858-0351 available by request