S515-0139 Screening compound: 7-oxoazepane-2-carboxylic acid

S515-0139 Screening compound: 7-oxoazepane-2-carboxylic acid
S515-0139 Screening compound: 7-oxoazepane-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S515-0139
7-oxoazepane-2-carboxylic 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

S515-0139

Molecular Formula

C7H11NO3 (C7 H11 NO3)

Compound Name

7-oxoazepane-2-carboxylic acid

IUPAC name

7-oxoazepane-2-carboxylic acid

SMILES

OC(C(CCCC1)NC1=O)=O

InChI

InChI=1S/C7H11NO3/c9-6-4-2-1-3-5(8-6)7(10)11/h5H,1-4H2,(H,8,9)(H,10,11)/t5-/m0/s1

InChI Key

PKCIDMQPMJHMGR-YFKPBYRVSA-N

MDL Number (MFCD)

MFCD19382163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

157.17

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.936

Distribution Coefficient, logD

-4.554

Water Solubility, LogSw

-0.42

Polar Surface Area

54.624

Acid Dissociation Constant (pKa)

3.78

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.43

S515-0139 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases

References: we are preparing a list of scientific research reports with S515-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S515-0139?
Check Price and Availability of S515-0139, 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 S515-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S515-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S515-0139
  • 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 S515-0139 available by request