8012-2517 Screening compound: 2-chloro-N~1~-[3-(1,3-dioxan-2-yl)phenyl]-5-(methylsulfanyl)benzamide

8012-2517 Screening compound: 2-chloro-N~1~-[3-(1,3-dioxan-2-yl)phenyl]-5-(methylsulfanyl)benzamide
8012-2517 Screening compound: 2-chloro-N~1~-[3-(1,3-dioxan-2-yl)phenyl]-5-(methylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-2517
2-chloro-N~1~-[3-(1,3-dioxan-2-yl)phenyl]-5-(methylsulfanyl)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

8012-2517

Molecular Formula

C18H18ClNO3S (C18 H18 ClNO3 S)

Compound Name

2-chloro-N~1~-[3-(1,3-dioxan-2-yl)phenyl]-5-(methylsulfanyl)benzamide

IUPAC name

2-chloro-N-[3-(13-dioxan-2-yl)phenyl]-5-(methylsulfanyl)benzamide

SMILES

CSc(cc1)cc(C(Nc2cc(C3OCCCO3)ccc2)=O)c1Cl

InChI

InChI=1S/C18H18ClNO3S/c1-24-14-6-7-16(19)15(11-14)17(21)20-13-5-2-4-12(10-13)18-22-8-3-9-23-18/h2,4-7,10-11,18H,3,8-9H2,1H3,(H,20,21)

InChI Key

BUGBTYJIIFCGDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03017696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.471

Distribution Coefficient, logD

3.471

Water Solubility, LogSw

-3.90

Polar Surface Area

39.746

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

8012-2517 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8012-2517 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-2517?
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What is the minimum amount of 8012-2517 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-2517
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-2517
  • 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 8012-2517 available by request