8016-7721 Screening compound: 1-(3,4-dimethoxyphenyl)[1]benzofuro[2,3-e][2,1]benzisoxazole

8016-7721 Screening compound: 1-(3,4-dimethoxyphenyl)[1]benzofuro[2,3-e][2,1]benzisoxazole
8016-7721 Screening compound: 1-(3,4-dimethoxyphenyl)[1]benzofuro[2,3-e][2,1]benzisoxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7721
1-(3,4-dimethoxyphenyl)[1]benzofuro[2,3-e][2,1]benzisoxazole

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

8016-7721

Molecular Formula

C21H15NO4 (C21 H15 NO4)

Compound Name

1-(3,4-dimethoxyphenyl)[1]benzofuro[2,3-e][2,1]benzisoxazole

IUPAC name

3-(34-dimethoxyphenyl)-416-dioxa-5-azatetracyclo[7.7.0.0^{26}.0^{1015}]hexadeca-1(9)25710(15)1113-heptaene

SMILES

COc(ccc(-c(onc1cc2)c1c1c2c(cccc2)c2o1)c1)c1OC

InChI

InChI=1S/C21H15NO4/c1-23-17-10-7-12(11-18(17)24-2)20-19-15(22-26-20)9-8-14-13-5-3-4-6-16(13)25-21(14)19/h3-11H,1-2H3

InChI Key

AALRIUHAHWOYFC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03266414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.304

Distribution Coefficient, logD

5.304

Water Solubility, LogSw

-6.05

Polar Surface Area

45.130

Acid Dissociation Constant (pKa)

33.29

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

8016-7721 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-7721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7721?
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What is the minimum amount of 8016-7721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7721
  • 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 8016-7721 available by request