L470-0696 Screening compound: N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(1H-indol-3-yl)propanamide

L470-0696 Screening compound: N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(1H-indol-3-yl)propanamide
L470-0696 Screening compound: N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(1H-indol-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L470-0696
N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(1H-indol-3-yl)propanamide

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

L470-0696

Molecular Formula

C22H27N3O3S2 (C22 H27 N3 O3 S2)

Compound Name

N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(1H-indol-3-yl)propanamide

IUPAC name

N-{[5-(azepane-1-sulfonyl)thiophen-2-yl]methyl}-3-(1H-indol-3-yl)propanamide

SMILES

O=C(CCc1c[nH]c2c1cccc2)NCc(s1)ccc1S(N1CCCCCC1)(=O)=O

InChI

InChI=1S/C22H27N3O3S2/c26-21(11-9-17-15-23-20-8-4-3-7-19(17)20)24-16-18-10-12-22(29-18)30(27,28)25-13-5-1-2-6-14-25/h3-4,7-8,10,12,15,23H,1-2,5-6,9,11,13-14,16H2,(H,24,26)

InChI Key

LJBMWLGOGKHCHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27255041

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.013

Distribution Coefficient, logD

4.013

Water Solubility, LogSw

-4.10

Polar Surface Area

67.369

Acid Dissociation Constant (pKa)

13.41

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

L470-0696 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with L470-0696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L470-0696?
Check Price and Availability of L470-0696, 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 L470-0696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L470-0696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L470-0696
  • 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 L470-0696 available by request