4130-5476 Screening compound: 1-(9H-xanthene-9-carbonyl)azepane

4130-5476 Screening compound: 1-(9H-xanthene-9-carbonyl)azepane
4130-5476 Screening compound: 1-(9H-xanthene-9-carbonyl)azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-5476
1-(9H-xanthene-9-carbonyl)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

4130-5476

Molecular Formula

C20H21NO2 (C20 H21 NO2)

Compound Name

1-(9H-xanthene-9-carbonyl)azepane

IUPAC name

1-(9H-xanthene-9-carbonyl)azepane

SMILES

O=C(C1c(cccc2)c2Oc2c1cccc2)N1CCCCCC1

InChI

InChI=1S/C20H21NO2/c22-20(21-13-7-1-2-8-14-21)19-15-9-3-5-11-17(15)23-18-12-6-4-10-16(18)19/h3-6,9-12,19H,1-2,7-8,13-14H2

InChI Key

DGDNJCNVCSZYGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01353727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

307.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.979

Distribution Coefficient, logD

-1.531

Water Solubility, LogSw

-4.25

Polar Surface Area

24.031

Acid Dissociation Constant (pKa)

-3.31

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

4130-5476 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

CNS BBB Library (22607 compounds)

DGK Inhibitors Library (10558 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4130-5476 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-5476?
Check Price and Availability of 4130-5476, 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 4130-5476 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-5476
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-5476
  • 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 4130-5476 available by request