7896-0271 Screening compound: 2-[5-(2,5-dimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methylphenol

7896-0271 Screening compound: 2-[5-(2,5-dimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methylphenol
7896-0271 Screening compound: 2-[5-(2,5-dimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7896-0271
2-[5-(2,5-dimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methylphenol

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

7896-0271

Molecular Formula

C25H24N2O4 (C25 H24 N2 O4)

Compound Name

2-[5-(2,5-dimethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methylphenol

IUPAC name

2-[7-(25-dimethoxyphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(13)4911-tetraen-4-yl]-4-methylphenol

SMILES

Cc(cc1)cc(C(CC23)=NN2C(c(cc(cc2)OC)c2OC)Oc2c3cccc2)c1O

InChI

InChI=1S/C25H24N2O4/c1-15-8-10-22(28)18(12-15)20-14-21-17-6-4-5-7-24(17)31-25(27(21)26-20)19-13-16(29-2)9-11-23(19)30-3/h4-13,21,25,28H,14H2,1-3H3

InChI Key

PWLRYNYVTDIHGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.016

Distribution Coefficient, logD

6.014

Water Solubility, LogSw

-5.46

Polar Surface Area

53.768

Acid Dissociation Constant (pKa)

9.92

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

7896-0271 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7896-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7896-0271?
Check Price and Availability of 7896-0271, 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 7896-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7896-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7896-0271
  • 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 7896-0271 available by request