7896-0702 Screening compound: 2-[5-(4-bromo-2-thienyl)-7-methoxy-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methoxyphenol

7896-0702 Screening compound: 2-[5-(4-bromo-2-thienyl)-7-methoxy-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methoxyphenol
7896-0702 Screening compound: 2-[5-(4-bromo-2-thienyl)-7-methoxy-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7896-0702
2-[5-(4-bromo-2-thienyl)-7-methoxy-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methoxyphenol

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

7896-0702

Molecular Formula

C22H19BrN2O4S (C22 H19 BrN2 O4 S)

Compound Name

2-[5-(4-bromo-2-thienyl)-7-methoxy-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl]-4-methoxyphenol

IUPAC name

2-[7-(4-bromothiophen-2-yl)-10-methoxy-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(13)4911-tetraen-4-yl]-4-methoxyphenol

SMILES

COc(cc1)cc(C(CC2c3ccc4)=NN2C(c2cc(Br)cs2)Oc3c4OC)c1O

InChI

InChI=1S/C22H19BrN2O4S/c1-27-13-6-7-18(26)15(9-13)16-10-17-14-4-3-5-19(28-2)21(14)29-22(25(17)24-16)20-8-12(23)11-30-20/h3-9,11,17,22,26H,10H2,1-2H3

InChI Key

BVUFRWCTKPLCED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14713234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.966

Distribution Coefficient, logD

5.965

Water Solubility, LogSw

-5.49

Polar Surface Area

54.471

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.70

7896-0702 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 7896-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7896-0702?
Check Price and Availability of 7896-0702, 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 7896-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7896-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7896-0702
  • 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 7896-0702 available by request