2545-0311 Screening compound: 9-chloro-5-(4-fluorophenyl)-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

2545-0311 Screening compound: 9-chloro-5-(4-fluorophenyl)-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
2545-0311 Screening compound: 9-chloro-5-(4-fluorophenyl)-2-(4-methylphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 2545-0311
9-chloro-5-(4-fluorophenyl)-2-(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

2545-0311

Molecular Formula

C23H18ClFN2O (C23 H18 ClFN2 O)

Compound Name

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

IUPAC name

12-chloro-7-(4-fluorophenyl)-4-(4-methylphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(13)4911-tetraene

SMILES

Cc(cc1)ccc1C(CC12)=NN1C(c(cc1)ccc1F)Oc(cc1)c2cc1Cl

InChI

InChI=1S/C23H18ClFN2O/c1-14-2-4-15(5-3-14)20-13-21-19-12-17(24)8-11-22(19)28-23(27(21)26-20)16-6-9-18(25)10-7-16/h2-12,21,23H,13H2,1H3

InChI Key

UEKKVOLFXSXNMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.86

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

6.387

Distribution Coefficient, logD

6.387

Water Solubility, LogSw

-6.57

Polar Surface Area

22.046

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

2545-0311 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 2545-0311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2545-0311?
Check Price and Availability of 2545-0311, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2545-0311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2545-0311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2545-0311
  • 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 2545-0311 available by request