6835-3461 Screening compound: 2-(3,4-dimethoxyphenyl)-5-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

6835-3461 Screening compound: 2-(3,4-dimethoxyphenyl)-5-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
6835-3461 Screening compound: 2-(3,4-dimethoxyphenyl)-5-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6835-3461
2-(3,4-dimethoxyphenyl)-5-phenyl-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

6835-3461

Molecular Formula

C24H22N2O3 (C24 H22 N2 O3)

Compound Name

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

IUPAC name

4-(34-dimethoxyphenyl)-7-phenyl-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

COc(ccc(C(CC12)=NN1C(c1ccccc1)Oc1c2cccc1)c1)c1OC

InChI

InChI=1S/C24H22N2O3/c1-27-22-13-12-17(14-23(22)28-2)19-15-20-18-10-6-7-11-21(18)29-24(26(20)25-19)16-8-4-3-5-9-16/h3-14,20,24H,15H2,1-2H3

InChI Key

XBDHREMDDJXHEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02676253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.893

Distribution Coefficient, logD

4.893

Water Solubility, LogSw

-4.73

Polar Surface Area

37.307

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.80

6835-3461 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 6835-3461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6835-3461?
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What is the minimum amount of 6835-3461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6835-3461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6835-3461
  • 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 6835-3461 available by request