6835-5637 Screening compound: 3-[9-bromo-5-(4-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether

6835-5637 Screening compound: 3-[9-bromo-5-(4-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether
6835-5637 Screening compound: 3-[9-bromo-5-(4-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 6835-5637
3-[9-bromo-5-(4-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether

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

6835-5637

Molecular Formula

C22H18BrN3O2 (C22 H18 BrN3 O2)

Compound Name

3-[9-bromo-5-(4-pyridyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether

IUPAC name

12-bromo-4-(3-methoxyphenyl)-7-(pyridin-4-yl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

COc1cccc(C(CC23)=NN2C(c2ccncc2)Oc(cc2)c3cc2Br)c1

InChI

InChI=1S/C22H18BrN3O2/c1-27-17-4-2-3-15(11-17)19-13-20-18-12-16(23)5-6-21(18)28-22(26(20)25-19)14-7-9-24-10-8-14/h2-12,20,22H,13H2,1H3

InChI Key

FALZVJTVHZYOMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04005695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.31

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

4.940

Distribution Coefficient, logD

4.938

Water Solubility, LogSw

-4.59

Polar Surface Area

39.018

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

18.20

6835-5637 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6835-5637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6835-5637?
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What is the minimum amount of 6835-5637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6835-5637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6835-5637
  • 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 6835-5637 available by request