4077-0135 Screening compound: 2-[2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether

4077-0135 Screening compound: 2-[2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether
4077-0135 Screening compound: 2-[2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]phenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound 4077-0135
2-[2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-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

4077-0135

Molecular Formula

C24H22N2O3 (C24 H22 N2 O3)

Compound Name

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

IUPAC name

7-(2-methoxyphenyl)-4-(4-methoxyphenyl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

COc(cc1)ccc1C(CC12)=NN1C(c(cccc1)c1OC)Oc1c2cccc1

InChI

InChI=1S/C24H22N2O3/c1-27-17-13-11-16(12-14-17)20-15-21-18-7-3-6-10-23(18)29-24(26(21)25-20)19-8-4-5-9-22(19)28-2/h3-14,21,24H,15H2,1-2H3

InChI Key

PKUHOXJENXEMMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01627479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.374

Distribution Coefficient, logD

5.374

Water Solubility, LogSw

-5.64

Polar Surface Area

37.220

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

3.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.80

4077-0135 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 4077-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4077-0135?
Check Price and Availability of 4077-0135, 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 4077-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4077-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4077-0135
  • 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 4077-0135 available by request