F858-0009 Screening compound: N~2~-(2-chlorophenyl)-1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-2-piperidinecarboxamide

F858-0009 Screening compound: N~2~-(2-chlorophenyl)-1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-2-piperidinecarboxamide
F858-0009 Screening compound: N~2~-(2-chlorophenyl)-1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-2-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F858-0009
N~2~-(2-chlorophenyl)-1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-2-piperidinecarboxamide

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

F858-0009

Molecular Formula

C21H24ClN5O4S (C21 H24 ClN5 O4 S)

Compound Name

N~2~-(2-chlorophenyl)-1-{[1-(2-methoxyethyl)-1H-1,2,3-benzotriazol-5-yl]sulfonyl}-2-piperidinecarboxamide

IUPAC name

n/a

SMILES

COCCn1nnc2c1ccc(S(N(CCCC1)C1C(Nc(cccc1)c1Cl)=O)(=O)=O)c2

InChI

InChI=1S/C21H24ClN5O4S/c1-31-13-12-26-19-10-9-15(14-18(19)24-25-26)32(29,30)27-11-5-4-8-20(27)21(28)23-17-7-3-2-6-16(17)22/h2-3,6-7,9-10,14,20H,4-5,8,11-13H2,1H3,(H,23,28)/t20-/m0/s1

InChI Key

SVLKOHMPIYATDZ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD27200171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.505

Distribution Coefficient, logD

2.501

Water Solubility, LogSw

-3.19

Polar Surface Area

88.832

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

1.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

F858-0009 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F858-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F858-0009?
Check Price and Availability of F858-0009, 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 F858-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F858-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F858-0009
  • 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 F858-0009 available by request