4111-0015 Screening compound: 5-(3-chlorophenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

4111-0015 Screening compound: 5-(3-chlorophenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
4111-0015 Screening compound: 5-(3-chlorophenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4111-0015
5-(3-chlorophenyl)-2-phenyl-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

4111-0015

Molecular Formula

C22H17ClN2O (C22 H17 ClN2 O)

Compound Name

5-(3-chlorophenyl)-2-phenyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

IUPAC name

7-(3-chlorophenyl)-4-phenyl-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

Clc1cc(C(N(C2C3)N=C3c3ccccc3)Oc3c2cccc3)ccc1

InChI

InChI=1S/C22H17ClN2O/c23-17-10-6-9-16(13-17)22-25-20(18-11-4-5-12-21(18)26-22)14-19(24-25)15-7-2-1-3-8-15/h1-13,20,22H,14H2

InChI Key

ASYAFSDSZYHOAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00488879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.84

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

5.758

Distribution Coefficient, logD

5.758

Water Solubility, LogSw

-6.24

Polar Surface Area

22.046

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

2.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.60

4111-0015 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 4111-0015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4111-0015?
Check Price and Availability of 4111-0015, 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 4111-0015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4111-0015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4111-0015
  • 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 4111-0015 available by request