F110-0394 Screening compound: methyl 2-[1-(4-chlorobenzenesulfonyl)piperidine-2-amido]benzoate

F110-0394 Screening compound: methyl 2-[1-(4-chlorobenzenesulfonyl)piperidine-2-amido]benzoate
F110-0394 Screening compound: methyl 2-[1-(4-chlorobenzenesulfonyl)piperidine-2-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F110-0394
methyl 2-[1-(4-chlorobenzenesulfonyl)piperidine-2-amido]benzoate

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

F110-0394

Molecular Formula

C20H21ClN2O5S (C20 H21 ClN2 O5 S)

Compound Name

methyl 2-[1-(4-chlorobenzenesulfonyl)piperidine-2-amido]benzoate

IUPAC name

methyl 2-[1-(4-chlorobenzenesulfonyl)piperidine-2-amido]benzoate

SMILES

COC(c(cccc1)c1NC(C(CCCC1)N1S(c(cc1)ccc1Cl)(=O)=O)=O)=O

InChI

InChI=1S/C20H21ClN2O5S/c1-28-20(25)16-6-2-3-7-17(16)22-19(24)18-8-4-5-13-23(18)29(26,27)15-11-9-14(21)10-12-15/h2-3,6-7,9-12,18H,4-5,8,13H2,1H3,(H,22,24)/t18-/m0/s1

InChI Key

NWSPRNVDJRZBNR-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27101767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.92

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.783

Distribution Coefficient, logD

3.516

Water Solubility, LogSw

-4.37

Polar Surface Area

75.988

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

F110-0394 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F110-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F110-0394?
Check Price and Availability of F110-0394, 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 F110-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F110-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F110-0394
  • 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 F110-0394 available by request