6835-5625 Screening compound: 2-(4-methoxyphenyl)-5-(4-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

6835-5625 Screening compound: 2-(4-methoxyphenyl)-5-(4-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
6835-5625 Screening compound: 2-(4-methoxyphenyl)-5-(4-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6835-5625
2-(4-methoxyphenyl)-5-(4-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

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

6835-5625

Molecular Formula

C22H19N3O2 (C22 H19 N3 O2)

Compound Name

2-(4-methoxyphenyl)-5-(4-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

4-(4-methoxyphenyl)-7-(pyridin-4-yl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

COc(cc1)ccc1C(CC12)=NN1C(c1ccncc1)Oc1c2cccc1

InChI

InChI=1S/C22H19N3O2/c1-26-17-8-6-15(7-9-17)19-14-20-18-4-2-3-5-21(18)27-22(25(20)24-19)16-10-12-23-13-11-16/h2-13,20,22H,14H2,1H3

InChI Key

CTUNHYNKPYSYGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01542674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.115

Distribution Coefficient, logD

4.113

Water Solubility, LogSw

-4.20

Polar Surface Area

39.018

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.20

6835-5625 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 6835-5625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6835-5625?
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What is the minimum amount of 6835-5625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6835-5625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6835-5625
  • 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 6835-5625 available by request