2545-0240 Screening compound: 4-[9-chloro-5-(4-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether

2545-0240 Screening compound: 4-[9-chloro-5-(4-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether
2545-0240 Screening compound: 4-[9-chloro-5-(4-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 2545-0240
4-[9-chloro-5-(4-fluorophenyl)-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

2545-0240

Molecular Formula

C23H18ClFN2O2 (C23 H18 ClFN2 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C23H18ClFN2O2/c1-28-18-9-4-14(5-10-18)20-13-21-19-12-16(24)6-11-22(19)29-23(27(21)26-20)15-2-7-17(25)8-3-15/h2-12,21,23H,13H2,1H3

InChI Key

KUEAZOQOMWJIED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01542689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.86

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.946

Distribution Coefficient, logD

5.946

Water Solubility, LogSw

-6.48

Polar Surface Area

29.590

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

2545-0240 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 2545-0240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2545-0240?
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What is the minimum amount of 2545-0240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2545-0240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2545-0240
  • 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 2545-0240 available by request