E851-1690 Screening compound: ethyl 3-[(6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-3-ylcarbonyl)amino]benzoate

E851-1690 Screening compound: ethyl 3-[(6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-3-ylcarbonyl)amino]benzoate
E851-1690 Screening compound: ethyl 3-[(6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-3-ylcarbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E851-1690
ethyl 3-[(6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-3-ylcarbonyl)amino]benzoate

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

E851-1690

Molecular Formula

C22H24N4O3 (C22 H24 N4 O3)

Compound Name

ethyl 3-[(6,7,8,9,10,11-hexahydrocycloocta[e]pyrazolo[1,5-a]pyrimidin-3-ylcarbonyl)amino]benzoate

IUPAC name

ethyl 3-{237-triazatricyclo[7.6.0.0^{26}]pentadeca-1(9)357-tetraene-5-amido}benzoate

SMILES

CCOC(c1cc(NC(c2c3ncc(CCCCCC4)c4n3nc2)=O)ccc1)=O

InChI

InChI=1S/C22H24N4O3/c1-2-29-22(28)15-9-7-10-17(12-15)25-21(27)18-14-24-26-19-11-6-4-3-5-8-16(19)13-23-20(18)26/h7,9-10,12-14H,2-6,8,11H2,1H3,(H,25,27)

InChI Key

AJQFLBRMQSCFSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14921872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.776

Distribution Coefficient, logD

4.774

Water Solubility, LogSw

-4.22

Polar Surface Area

66.577

Acid Dissociation Constant (pKa)

9.57

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

E851-1690 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with E851-1690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E851-1690?
Check Price and Availability of E851-1690, 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 E851-1690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E851-1690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E851-1690
  • 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 E851-1690 available by request