6835-5301 Screening compound: 9-bromo-2-(2-furyl)-5-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

6835-5301 Screening compound: 9-bromo-2-(2-furyl)-5-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
6835-5301 Screening compound: 9-bromo-2-(2-furyl)-5-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6835-5301
9-bromo-2-(2-furyl)-5-(4-methylphenyl)-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

6835-5301

Molecular Formula

C21H17BrN2O2 (C21 H17 BrN2 O2)

Compound Name

9-bromo-2-(2-furyl)-5-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

12-bromo-4-(furan-2-yl)-7-(4-methylphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

Cc1ccc(C(N(C2C3)N=C3c3ccco3)Oc(cc3)c2cc3Br)cc1

InChI

InChI=1S/C21H17BrN2O2/c1-13-4-6-14(7-5-13)21-24-18(12-17(23-24)20-3-2-10-25-20)16-11-15(22)8-9-19(16)26-21/h2-11,18,21H,12H2,1H3

InChI Key

SPWYNCKZDQQITE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03677839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.28

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

5.584

Distribution Coefficient, logD

5.584

Water Solubility, LogSw

-5.59

Polar Surface Area

30.624

Acid Dissociation Constant (pKa)

16.95

Base Dissociation Constant (pKb)

1.62

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.00

6835-5301 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6835-5301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6835-5301?
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What is the minimum amount of 6835-5301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6835-5301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6835-5301
  • 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 6835-5301 available by request