J107-0522 Screening compound: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide

J107-0522 Screening compound: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide
J107-0522 Screening compound: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J107-0522
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide

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

J107-0522

Molecular Formula

C23H24N2O3 (C23 H24 N2 O3)

Compound Name

2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetamide

IUPAC name

2-(34-dihydro-2H-15-benzodioxepin-7-yl)-N-(2349-tetrahydro-1H-carbazol-1-yl)acetamide

SMILES

O=C(Cc(cc1)cc2c1OCCCO2)NC(CCC1)c2c1c(cccc1)c1[nH]2

InChI

InChI=1S/C23H24N2O3/c26-22(14-15-9-10-20-21(13-15)28-12-4-11-27-20)24-19-8-3-6-17-16-5-1-2-7-18(16)25-23(17)19/h1-2,5,7,9-10,13,19,25H,3-4,6,8,11-12,14H2,(H,24,26)/t19-/m0/s1

InChI Key

MKJHCNSTDPPFHD-IBGZPJMESA-N

MDL Number (MFCD)

MFCD28058490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.104

Distribution Coefficient, logD

3.104

Water Solubility, LogSw

-3.37

Polar Surface Area

50.647

Acid Dissociation Constant (pKa)

11.53

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

J107-0522 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J107-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J107-0522?
Check Price and Availability of J107-0522, 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 J107-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J107-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J107-0522
  • 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 J107-0522 available by request