J006-1366 Screening compound: 2-(5-methylthiophen-2-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]azepane

J006-1366 Screening compound: 2-(5-methylthiophen-2-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]azepane
J006-1366 Screening compound: 2-(5-methylthiophen-2-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-1366
2-(5-methylthiophen-2-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]azepane

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

J006-1366

Molecular Formula

C21H29NO3S (C21 H29 NO3 S)

Compound Name

2-(5-methylthiophen-2-yl)-1-[(2,3,4-trimethoxyphenyl)methyl]azepane

IUPAC name

2-(5-methylthiophen-2-yl)-1-[(234-trimethoxyphenyl)methyl]azepane

SMILES

Cc1ccc(C2N(Cc(ccc(OC)c3OC)c3OC)CCCCC2)s1

InChI

InChI=1S/C21H29NO3S/c1-15-9-12-19(26-15)17-8-6-5-7-13-22(17)14-16-10-11-18(23-2)21(25-4)20(16)24-3/h9-12,17H,5-8,13-14H2,1-4H3/t17-/m0/s1

InChI Key

BLAFDTIQJUWGBS-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15077904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.034

Distribution Coefficient, logD

2.498

Water Solubility, LogSw

-4.64

Polar Surface Area

27.973

Acid Dissociation Constant (pKa)

26.75

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

J006-1366 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

PD-1/L1 Library (498 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Others
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J006-1366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-1366?
Check Price and Availability of J006-1366, 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 J006-1366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-1366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-1366
  • 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 J006-1366 available by request