S690-0010 Screening compound: 4-{[1-(ethylcarbamoyl)piperidin-4-yl]methyl}benzoic acid

S690-0010 Screening compound: 4-{[1-(ethylcarbamoyl)piperidin-4-yl]methyl}benzoic acid
S690-0010 Screening compound: 4-{[1-(ethylcarbamoyl)piperidin-4-yl]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S690-0010
4-{[1-(ethylcarbamoyl)piperidin-4-yl]methyl}benzoic acid

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

S690-0010

Molecular Formula

C16H22N2O3 (C16 H22 N2 O3)

Compound Name

4-{[1-(ethylcarbamoyl)piperidin-4-yl]methyl}benzoic acid

IUPAC name

4-{[1-(ethylcarbamoyl)piperidin-4-yl]methyl}benzoic acid

SMILES

CCNC(N1CCC(Cc(cc2)ccc2C(O)=O)CC1)=O

InChI

InChI=1S/C16H22N2O3/c1-2-17-16(21)18-9-7-13(8-10-18)11-12-3-5-14(6-4-12)15(19)20/h3-6,13H,2,7-11H2,1H3,(H,17,21)(H,19,20)

InChI Key

CBXVTMCWGMEINT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28897971

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

290.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.908

Distribution Coefficient, logD

-0.064

Water Solubility, LogSw

-3.14

Polar Surface Area

55.064

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S690-0010 in Drug Discovery

Included in Screening Libraries

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

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors

References: we are preparing a list of scientific research reports with S690-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S690-0010?
Check Price and Availability of S690-0010, 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 S690-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S690-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S690-0010
  • 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 S690-0010 available by request