7896-0492 Screening compound: 2-[5-(2-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methoxyphenol

7896-0492 Screening compound: 2-[5-(2-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methoxyphenol
7896-0492 Screening compound: 2-[5-(2-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7896-0492
2-[5-(2-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methoxyphenol

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

7896-0492

Molecular Formula

C23H19FN2O3 (C23 H19 FN2 O3)

Compound Name

2-[5-(2-fluorophenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methoxyphenol

IUPAC name

2-[7-(2-fluorophenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(13)4911-tetraen-4-yl]-4-methoxyphenol

SMILES

COc(cc1)cc(C(CC23)=NN2C(c(cccc2)c2F)Oc2c3cccc2)c1O

InChI

InChI=1S/C23H19FN2O3/c1-28-14-10-11-21(27)17(12-14)19-13-20-16-7-3-5-9-22(16)29-23(26(20)25-19)15-6-2-4-8-18(15)24/h2-12,20,23,27H,13H2,1H3

InChI Key

CCYNBASWDMTMNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.680

Distribution Coefficient, logD

5.679

Water Solubility, LogSw

-5.44

Polar Surface Area

46.138

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

3.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

17.40

7896-0492 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 7896-0492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7896-0492?
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What is the minimum amount of 7896-0492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7896-0492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7896-0492
  • 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 7896-0492 available by request