3168-0186 Screening compound: 4-[5-(4-ethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether

3168-0186 Screening compound: 4-[5-(4-ethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether
3168-0186 Screening compound: 4-[5-(4-ethoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 3168-0186
4-[5-(4-ethoxyphenyl)-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

3168-0186

Molecular Formula

C25H24N2O3 (C25 H24 N2 O3)

Compound Name

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

IUPAC name

7-(4-ethoxyphenyl)-4-(4-methoxyphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

CCOc1ccc(C(N(C2C3)N=C3c(cc3)ccc3OC)Oc3c2cccc3)cc1

InChI

InChI=1S/C25H24N2O3/c1-3-29-20-14-10-18(11-15-20)25-27-23(21-6-4-5-7-24(21)30-25)16-22(26-27)17-8-12-19(28-2)13-9-17/h4-15,23,25H,3,16H2,1-2H3

InChI Key

UYJMAOUZBPZVAZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01542672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.642

Distribution Coefficient, logD

5.642

Water Solubility, LogSw

-5.76

Polar Surface Area

36.713

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

2.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

24.00

3168-0186 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 3168-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3168-0186?
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What is the minimum amount of 3168-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3168-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3168-0186
  • 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 3168-0186 available by request