8019-7978 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydroisoxazole

8019-7978 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydroisoxazole
8019-7978 Screening compound: 3-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydroisoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7978
3-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydroisoxazole

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

8019-7978

Molecular Formula

C19H17NO6 (C19 H17 NO6)

Compound Name

3-(1,3-benzodioxol-5-yl)-5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4,5-dihydroisoxazole

IUPAC name

3-(2H-13-benzodioxol-5-yl)-5-[(7-methoxy-2H-13-benzodioxol-5-yl)methyl]-45-dihydro-12-oxazole

SMILES

COc1c2OCOc2cc(CC(C2)ON=C2c(cc2)cc3c2OCO3)c1

InChI

InChI=1S/C19H17NO6/c1-21-17-5-11(6-18-19(17)25-10-24-18)4-13-8-14(20-26-13)12-2-3-15-16(7-12)23-9-22-15/h2-3,5-7,13H,4,8-10H2,1H3/t13-/m0/s1

InChI Key

NCDHULUIESXLEI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD10039497

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.825

Distribution Coefficient, logD

3.825

Water Solubility, LogSw

-4.14

Polar Surface Area

64.348

Acid Dissociation Constant (pKa)

21.43

Base Dissociation Constant (pKb)

0.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

8019-7978 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-7978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7978?
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What is the minimum amount of 8019-7978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7978
  • 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 8019-7978 available by request