D136-0018 Screening compound: 7-methoxy-2-phenyl-5-(3-phenyl-2,1-benzisoxazol-5-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine

D136-0018 Screening compound: 7-methoxy-2-phenyl-5-(3-phenyl-2,1-benzisoxazol-5-yl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine
D136-0018 Screening compound: 7-methoxy-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 D136-0018
7-methoxy-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

D136-0018

Molecular Formula

C30H23N3O3 (C30 H23 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cccc1C2C3)c1OC(c1cc4c(-c5ccccc5)onc4cc1)N2N=C3c1ccccc1

InChI

InChI=1S/C30H23N3O3/c1-34-27-14-8-13-22-26-18-25(19-9-4-2-5-10-19)31-33(26)30(35-29(22)27)21-15-16-24-23(17-21)28(36-32-24)20-11-6-3-7-12-20/h2-17,26,30H,18H2,1H3

InChI Key

DORXAFMSZNPINO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07429043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.726

Distribution Coefficient, logD

6.726

Water Solubility, LogSw

-6.07

Polar Surface Area

50.844

Acid Dissociation Constant (pKa)

17.24

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

13.30

D136-0018 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D136-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D136-0018?
Check Price and Availability of D136-0018, 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 D136-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D136-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D136-0018
  • 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 D136-0018 available by request