4663-2443 Screening compound: 9-bromo-2-(4-methylphenyl)-5-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

4663-2443 Screening compound: 9-bromo-2-(4-methylphenyl)-5-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
4663-2443 Screening compound: 9-bromo-2-(4-methylphenyl)-5-(2-thienyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4663-2443
9-bromo-2-(4-methylphenyl)-5-(2-thienyl)-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

4663-2443

Molecular Formula

C21H17BrN2OS (C21 H17 BrN2 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(CC12)=NN1C(c1cccs1)Oc(cc1)c2cc1Br

InChI

InChI=1S/C21H17BrN2OS/c1-13-4-6-14(7-5-13)17-12-18-16-11-15(22)8-9-19(16)25-21(24(18)23-17)20-3-2-10-26-20/h2-11,18,21H,12H2,1H3

InChI Key

NBAXVZLVEBDJEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01542725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.35

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.079

Distribution Coefficient, logD

6.079

Water Solubility, LogSw

-5.61

Polar Surface Area

23.064

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

3.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

19.00

4663-2443 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 4663-2443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4663-2443?
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What is the minimum amount of 4663-2443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4663-2443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4663-2443
  • 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 4663-2443 available by request