8013-2471 Screening compound: 3-ethoxy-N-[(3-{[(3-ethoxyphenyl)formamido]methyl}adamantan-1-yl)methyl]benzamide

8013-2471 Screening compound: 3-ethoxy-N-[(3-{[(3-ethoxyphenyl)formamido]methyl}adamantan-1-yl)methyl]benzamide
8013-2471 Screening compound: 3-ethoxy-N-[(3-{[(3-ethoxyphenyl)formamido]methyl}adamantan-1-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2471
3-ethoxy-N-[(3-{[(3-ethoxyphenyl)formamido]methyl}adamantan-1-yl)methyl]benzamide

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

8013-2471

Molecular Formula

C30H38N2O4 (C30 H38 N2 O4)

Compound Name

3-ethoxy-N-[(3-{[(3-ethoxyphenyl)formamido]methyl}adamantan-1-yl)methyl]benzamide

IUPAC name

3-ethoxy-N-[(3-{[(3-ethoxyphenyl)formamido]methyl}adamantan-1-yl)methyl]benzamide

SMILES

CCOc1cccc(C(NCC2(CC(C3)C4)CC4(CNC(c4cc(OCC)ccc4)=O)CC3C2)=O)c1

InChI

InChI=1S/C30H38N2O4/c1-3-35-25-9-5-7-23(12-25)27(33)31-19-29-14-21-11-22(15-29)17-30(16-21,18-29)20-32-28(34)24-8-6-10-26(13-24)36-4-2/h5-10,12-13,21-22H,3-4,11,14-20H2,1-2H3,(H,31,33)(H,32,34)

InChI Key

YQFCYPGGKMSOMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03109573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.202

Distribution Coefficient, logD

6.202

Water Solubility, LogSw

-5.59

Polar Surface Area

63.346

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

8013-2471 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with 8013-2471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2471?
Check Price and Availability of 8013-2471, 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 8013-2471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2471
  • 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 8013-2471 available by request