4077-0125 Screening compound: (4-bromophenyl)[2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone

4077-0125 Screening compound: (4-bromophenyl)[2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone
4077-0125 Screening compound: (4-bromophenyl)[2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4077-0125
(4-bromophenyl)[2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone

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

4077-0125

Molecular Formula

C24H19BrN2O3 (C24 H19 BrN2 O3)

Compound Name

(4-bromophenyl)[2-(4-methoxyphenyl)-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-5-yl]methanone

IUPAC name

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

SMILES

COc(cc1)ccc1C(CC12)=NN1C(C(c(cc1)ccc1Br)=O)Oc1c2cccc1

InChI

InChI=1S/C24H19BrN2O3/c1-29-18-12-8-15(9-13-18)20-14-21-19-4-2-3-5-22(19)30-24(27(21)26-20)23(28)16-6-10-17(25)11-7-16/h2-13,21,24H,14H2,1H3

InChI Key

GAKJQOLHAOPVMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01542666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.669

Distribution Coefficient, logD

5.669

Water Solubility, LogSw

-5.62

Polar Surface Area

43.328

Acid Dissociation Constant (pKa)

15.52

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.70

4077-0125 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4077-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4077-0125?
Check Price and Availability of 4077-0125, 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 4077-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4077-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4077-0125
  • 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 4077-0125 available by request