8018-6219 Screening compound: 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-(morpholin-4-yl)-2-oxoethyl]benzamide

8018-6219 Screening compound: 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-(morpholin-4-yl)-2-oxoethyl]benzamide
8018-6219 Screening compound: 2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-(morpholin-4-yl)-2-oxoethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6219
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-(morpholin-4-yl)-2-oxoethyl]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

8018-6219

Molecular Formula

C21H21ClN2O7S (C21 H21 ClN2 O7 S)

Compound Name

2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-2-(morpholin-4-yl)-2-oxoethyl]benzamide

IUPAC name

2-chloro-N-[1-(23-dihydro-14-benzodioxine-6-sulfonyl)-2-(morpholin-4-yl)-2-oxoethyl]benzamide

SMILES

O=C(C(NC(c(cccc1)c1Cl)=O)S(c(cc1)cc2c1OCCO2)(=O)=O)N1CCOCC1

InChI

InChI=1S/C21H21ClN2O7S/c22-16-4-2-1-3-15(16)19(25)23-20(21(26)24-7-9-29-10-8-24)32(27,28)14-5-6-17-18(13-14)31-12-11-30-17/h1-6,13,20H,7-12H2,(H,23,25)/t20-/m0/s1

InChI Key

KYZYNYJKUXQHDJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD07800917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.93

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.788

Distribution Coefficient, logD

0.787

Water Solubility, LogSw

-3.04

Polar Surface Area

94.456

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8018-6219 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8018-6219 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8018-6219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6219
  • 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 8018-6219 available by request