8018-6107 Screening compound: 3-chloro-N-[7-(4-methoxybenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

8018-6107 Screening compound: 3-chloro-N-[7-(4-methoxybenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide
8018-6107 Screening compound: 3-chloro-N-[7-(4-methoxybenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6107
3-chloro-N-[7-(4-methoxybenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

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

8018-6107

Molecular Formula

C23H18ClNO5 (C23 H18 ClNO5)

Compound Name

3-chloro-N-[7-(4-methoxybenzoyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide

IUPAC name

3-chloro-N-[7-(4-methoxybenzoyl)-23-dihydro-14-benzodioxin-6-yl]benzamide

SMILES

COc(cc1)ccc1C(c(cc1OCCOc1c1)c1NC(c1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C23H18ClNO5/c1-28-17-7-5-14(6-8-17)22(26)18-12-20-21(30-10-9-29-20)13-19(18)25-23(27)15-3-2-4-16(24)11-15/h2-8,11-13H,9-10H2,1H3,(H,25,27)

InChI Key

KJFMDMYYPOOOSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.749

Distribution Coefficient, logD

3.447

Water Solubility, LogSw

-4.31

Polar Surface Area

59.466

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

8018-6107 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-6107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6107?
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What is the minimum amount of 8018-6107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6107
  • 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 8018-6107 available by request