6835-5629 Screening compound: 9-chloro-2-phenyl-5-(4-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

6835-5629 Screening compound: 9-chloro-2-phenyl-5-(4-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
6835-5629 Screening compound: 9-chloro-2-phenyl-5-(4-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6835-5629
9-chloro-2-phenyl-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

6835-5629

Molecular Formula

C21H16ClN3O (C21 H16 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

Clc(cc1)cc(C2C3)c1OC(c1ccncc1)N2N=C3c1ccccc1

InChI

InChI=1S/C21H16ClN3O/c22-16-6-7-20-17(12-16)19-13-18(14-4-2-1-3-5-14)24-25(19)21(26-20)15-8-10-23-11-9-15/h1-12,19,21H,13H2

InChI Key

FTNHRSONTISOAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01542510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.83

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.671

Distribution Coefficient, logD

4.669

Water Solubility, LogSw

-5.11

Polar Surface Area

31.474

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

14.30

6835-5629 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 6835-5629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6835-5629?
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What is the minimum amount of 6835-5629 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6835-5629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6835-5629
  • 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 6835-5629 available by request