8012-7068 Screening compound: N-[2-(adamantan-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]acetamide

8012-7068 Screening compound: N-[2-(adamantan-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]acetamide
8012-7068 Screening compound: N-[2-(adamantan-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7068
N-[2-(adamantan-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-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

8012-7068

Molecular Formula

C27H36N2O4 (C27 H36 N2 O4)

Compound Name

N-[2-(adamantan-1-yl)ethyl]-N-[2,5-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]acetamide

IUPAC name

N-[2-(adamantan-1-yl)ethyl]-N-[25-dioxo-1-(4-propoxyphenyl)pyrrolidin-3-yl]acetamide

SMILES

CCCOc(cc1)ccc1N(C(CC1N(CCC2(CC(C3)C4)CC4CC3C2)C(C)=O)=O)C1=O

InChI

InChI=1S/C27H36N2O4/c1-3-10-33-23-6-4-22(5-7-23)29-25(31)14-24(26(29)32)28(18(2)30)9-8-27-15-19-11-20(16-27)13-21(12-19)17-27/h4-7,19-21,24H,3,8-17H2,1-2H3/t19?,20?,21?,24-,27?/m0/s1

InChI Key

DCXDFOCNNNRCPG-ULCRDSCMSA-N

MDL Number (MFCD)

MFCD03034838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.322

Distribution Coefficient, logD

4.322

Water Solubility, LogSw

-4.15

Polar Surface Area

52.055

Acid Dissociation Constant (pKa)

16.61

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

8012-7068 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8012-7068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7068?
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What is the minimum amount of 8012-7068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7068
  • 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 8012-7068 available by request