P207-8860 Screening compound: 2-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid

P207-8860 Screening compound: 2-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid
P207-8860 Screening compound: 2-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound P207-8860
2-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-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

P207-8860

Molecular Formula

C16H21NO3S (C16 H21 NO3 S)

Compound Name

2-(azepane-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxylic acid

IUPAC name

2-(azepane-1-carbonyl)-4567-tetrahydro-1-benzothiophene-5-carboxylic acid

SMILES

OC(C(CC1)Cc2c1sc(C(N1CCCCCC1)=O)c2)=O

InChI

InChI=1S/C16H21NO3S/c18-15(17-7-3-1-2-4-8-17)14-10-12-9-11(16(19)20)5-6-13(12)21-14/h10-11H,1-9H2,(H,19,20)/t11-/m1/s1

InChI Key

OXBMJUYCZZRZGZ-LLVKDONJSA-N

MDL Number (MFCD)

MFCD28898035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.767

Distribution Coefficient, logD

0.384

Water Solubility, LogSw

-2.82

Polar Surface Area

46.565

Acid Dissociation Constant (pKa)

5.02

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

P207-8860 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with P207-8860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P207-8860?
Check Price and Availability of P207-8860, 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 P207-8860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P207-8860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P207-8860
  • 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 P207-8860 available by request