7896-0022 Screening compound: 2-[5-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol

7896-0022 Screening compound: 2-[5-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol
7896-0022 Screening compound: 2-[5-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7896-0022
2-[5-(4-methoxyphenyl)-1,10b-dihydropyrazolo[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

7896-0022

Molecular Formula

C23H20N2O3 (C23 H20 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

COc1ccc(C(N(C2C3)N=C3c(cccc3)c3O)Oc3c2cccc3)cc1

InChI

InChI=1S/C23H20N2O3/c1-27-16-12-10-15(11-13-16)23-25-20(18-7-3-5-9-22(18)28-23)14-19(24-25)17-6-2-4-8-21(17)26/h2-13,20,23,26H,14H2,1H3

InChI Key

MXLXOCAJLJZVNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.439

Distribution Coefficient, logD

5.436

Water Solubility, LogSw

-5.36

Polar Surface Area

46.138

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

7896-0022 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 7896-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7896-0022?
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What is the minimum amount of 7896-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7896-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7896-0022
  • 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 7896-0022 available by request