8020-0813 Screening compound: N-[7-(2-iodobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-(2-methoxyphenyl)acetamide

8020-0813 Screening compound: N-[7-(2-iodobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-(2-methoxyphenyl)acetamide
8020-0813 Screening compound: N-[7-(2-iodobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-(2-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-0813
N-[7-(2-iodobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-(2-methoxyphenyl)acetamide

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

8020-0813

Molecular Formula

C24H20INO5 (C24 H20 INO5)

Compound Name

N-[7-(2-iodobenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-(2-methoxyphenyl)acetamide

IUPAC name

N-[7-(2-iodobenzoyl)-23-dihydro-14-benzodioxin-6-yl]-2-(2-methoxyphenyl)acetamide

SMILES

COc1c(CC(Nc(cc2OCCOc2c2)c2C(c(cccc2)c2I)=O)=O)cccc1

InChI

InChI=1S/C24H20INO5/c1-29-20-9-5-2-6-15(20)12-23(27)26-19-14-22-21(30-10-11-31-22)13-17(19)24(28)16-7-3-4-8-18(16)25/h2-9,13-14H,10-12H2,1H3,(H,26,27)

InChI Key

CJYMYJOGXUCWFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11852551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

529.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.762

Distribution Coefficient, logD

3.753

Water Solubility, LogSw

-4.01

Polar Surface Area

59.339

Acid Dissociation Constant (pKa)

9.08

Base Dissociation Constant (pKb)

-1.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8020-0813 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 8020-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-0813?
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What is the minimum amount of 8020-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-0813
  • 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 8020-0813 available by request