E213-0887 Screening compound: N~2~-{2-[(3,5-dimethyl-1-adamantyl)oxy]ethyl}-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

E213-0887 Screening compound: N~2~-{2-[(3,5-dimethyl-1-adamantyl)oxy]ethyl}-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
E213-0887 Screening compound: N~2~-{2-[(3,5-dimethyl-1-adamantyl)oxy]ethyl}-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E213-0887
N~2~-{2-[(3,5-dimethyl-1-adamantyl)oxy]ethyl}-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

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

E213-0887

Molecular Formula

C26H35N3O3S (C26 H35 N3 O3 S)

Compound Name

N~2~-{2-[(3,5-dimethyl-1-adamantyl)oxy]ethyl}-3-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

IUPAC name

N-{2-[(35-dimethyladamantan-1-yl)oxy]ethyl}-4-methyl-2-oxo-6-thia-18-diazatricyclo[7.4.0.0^{37}]trideca-3(7)48-triene-5-carboxamide

SMILES

CC(CC(C1)C2)(CC1(C)C1)CC12OCCNC(c1c(C)c(C(N(CCCC2)C2=N2)=O)c2s1)=O

InChI

InChI=1S/C26H35N3O3S/c1-16-19-22(28-18-6-4-5-8-29(18)23(19)31)33-20(16)21(30)27-7-9-32-26-12-17-10-24(2,14-26)13-25(3,11-17)15-26/h17H,4-15H2,1-3H3,(H,27,30)

InChI Key

IUWYYZMKAIRZOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.324

Distribution Coefficient, logD

4.324

Water Solubility, LogSw

-4.21

Polar Surface Area

56.807

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

73.10

E213-0887 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

New Agro Library (44492 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
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E213-0887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0887?
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What is the minimum amount of E213-0887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0887
  • 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 E213-0887 available by request