7896-0689 Screening compound: 2-(5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl)-4-methoxyphenol

7896-0689 Screening compound: 2-(5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl)-4-methoxyphenol
7896-0689 Screening compound: 2-(5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl)-4-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7896-0689
2-(5,5-dimethyl-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

7896-0689

Molecular Formula

C19H20N2O3 (C19 H20 N2 O3)

Compound Name

2-(5,5-dimethyl-1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazin-2-yl)-4-methoxyphenol

IUPAC name

2-{77-dimethyl-8-oxa-56-diazatricyclo[7.4.0.0^{26}]trideca-1(13)4911-tetraen-4-yl}-4-methoxyphenol

SMILES

CC(C)(N(C1C2)N=C2c(cc(cc2)OC)c2O)Oc2c1cccc2

InChI

InChI=1S/C19H20N2O3/c1-19(2)21-16(13-6-4-5-7-18(13)24-19)11-15(20-21)14-10-12(23-3)8-9-17(14)22/h4-10,16,22H,11H2,1-3H3/t16-/m1/s1

InChI Key

AMSWQZHQEOPUDQ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14713227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.38

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.732

Distribution Coefficient, logD

4.724

Water Solubility, LogSw

-4.27

Polar Surface Area

45.179

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

7.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

7896-0689 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 7896-0689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7896-0689?
Check Price and Availability of 7896-0689, 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 7896-0689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7896-0689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7896-0689
  • 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 7896-0689 available by request