D136-0014 Screening compound: 2-phenyl-5-(3-phenyl-2,1-benzisoxazol-5-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

D136-0014 Screening compound: 2-phenyl-5-(3-phenyl-2,1-benzisoxazol-5-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
D136-0014 Screening compound: 2-phenyl-5-(3-phenyl-2,1-benzisoxazol-5-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D136-0014
2-phenyl-5-(3-phenyl-2,1-benzisoxazol-5-yl)-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

D136-0014

Molecular Formula

C29H21N3O2 (C29 H21 N3 O2)

Compound Name

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

IUPAC name

4-phenyl-7-(3-phenyl-21-benzoxazol-5-yl)-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(9)41012-tetraene

SMILES

C(C12)C(c3ccccc3)=NN1C(c1cc3c(-c4ccccc4)onc3cc1)Oc1c2cccc1

InChI

InChI=1S/C29H21N3O2/c1-3-9-19(10-4-1)25-18-26-22-13-7-8-14-27(22)33-29(32(26)30-25)21-15-16-24-23(17-21)28(34-31-24)20-11-5-2-6-12-20/h1-17,26,29H,18H2

InChI Key

JPBCLNCLFGEBPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06650982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.877

Distribution Coefficient, logD

6.877

Water Solubility, LogSw

-6.45

Polar Surface Area

43.529

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

10.30

D136-0014 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D136-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D136-0014?
Check Price and Availability of D136-0014, 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 D136-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D136-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D136-0014
  • 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 D136-0014 available by request