7896-0671 Screening compound: 2-(1',10b'-dihydrospiro[cyclopentane-1,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol

7896-0671 Screening compound: 2-(1',10b'-dihydrospiro[cyclopentane-1,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol
7896-0671 Screening compound: 2-(1',10b'-dihydrospiro[cyclopentane-1,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7896-0671
2-(1',10b'-dihydrospiro[cyclopentane-1,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol

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

7896-0671

Molecular Formula

C20H20N2O2 (C20 H20 N2 O2)

Compound Name

2-(1',10b'-dihydrospiro[cyclopentane-1,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2'-yl)phenol

IUPAC name

2-{8'-oxa-5'6'-diazaspiro[cyclopentane-17'-tricyclo[7.4.0.0^{26}]tridecane]-1'(13')4'9'11'-tetraen-4'-yl}phenol

SMILES

Oc(cccc1)c1C(CC12)=NN1C1(CCCC1)Oc1c2cccc1

InChI

InChI=1S/C20H20N2O2/c23-18-9-3-1-7-14(18)16-13-17-15-8-2-4-10-19(15)24-20(22(17)21-16)11-5-6-12-20/h1-4,7-10,17,23H,5-6,11-13H2/t17-/m1/s1

InChI Key

JSDXSVUFKUDBSG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14713221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.951

Distribution Coefficient, logD

4.947

Water Solubility, LogSw

-4.18

Polar Surface Area

37.766

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

4.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

7896-0671 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiparasite Library (23996 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 7896-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7896-0671?
Check Price and Availability of 7896-0671, 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 7896-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7896-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7896-0671
  • 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 7896-0671 available by request