8019-7177 Screening compound: 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-3-isoxazolecarboxylic acid

8019-7177 Screening compound: 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-3-isoxazolecarboxylic acid
8019-7177 Screening compound: 5-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-3-isoxazolecarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7177
5-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-3-isoxazolecarboxylic acid

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

8019-7177

Molecular Formula

C13H13NO6 (C13 H13 NO6)

Compound Name

5-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-4,5-dihydro-3-isoxazolecarboxylic acid

IUPAC name

5-(7-methoxy-2H-13-benzodioxol-5-yl)-4-methyl-45-dihydro-12-oxazole-3-carboxylic acid

SMILES

CC1C(C(O)=O)=NOC1c1cc(OC)c2OCOc2c1

InChI

InChI=1S/C13H13NO6/c1-6-10(13(15)16)14-20-11(6)7-3-8(17-2)12-9(4-7)18-5-19-12/h3-4,6,11H,5H2,1-2H3,(H,15,16)

InChI Key

HTHBGKZMFZEWRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10039163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.658

Distribution Coefficient, logD

-2.988

Water Solubility, LogSw

-1.74

Polar Surface Area

75.483

Acid Dissociation Constant (pKa)

2.75

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.46

8019-7177 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 8019-7177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7177?
Check Price and Availability of 8019-7177, 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 8019-7177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7177
  • 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 8019-7177 available by request