8013-3982 Screening compound: N-[2-(adamantan-1-yloxy)ethyl]-4-(2,5-dimethoxybenzoyl)benzamide

8013-3982 Screening compound: N-[2-(adamantan-1-yloxy)ethyl]-4-(2,5-dimethoxybenzoyl)benzamide
8013-3982 Screening compound: N-[2-(adamantan-1-yloxy)ethyl]-4-(2,5-dimethoxybenzoyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3982
N-[2-(adamantan-1-yloxy)ethyl]-4-(2,5-dimethoxybenzoyl)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

8013-3982

Molecular Formula

C28H33NO5 (C28 H33 NO5)

Compound Name

N-[2-(adamantan-1-yloxy)ethyl]-4-(2,5-dimethoxybenzoyl)benzamide

IUPAC name

N-[2-(adamantan-1-yloxy)ethyl]-4-(25-dimethoxybenzoyl)benzamide

SMILES

COc(cc1)cc(C(c(cc2)ccc2C(NCCOC2(CC(C3)C4)CC4CC3C2)=O)=O)c1OC

InChI

InChI=1S/C28H33NO5/c1-32-23-7-8-25(33-2)24(14-23)26(30)21-3-5-22(6-4-21)27(31)29-9-10-34-28-15-18-11-19(16-28)13-20(12-18)17-28/h3-8,14,18-20H,9-13,15-17H2,1-2H3,(H,29,31)

InChI Key

GEAIARQFORTBPM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.187

Distribution Coefficient, logD

5.187

Water Solubility, LogSw

-5.09

Polar Surface Area

59.395

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

8013-3982 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8013-3982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3982?
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What is the minimum amount of 8013-3982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3982
  • 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 8013-3982 available by request