8018-3177 Screening compound: 2,4-dichloro-5-(dimethylsulfamoyl)-N-{3-[2-(pyridin-3-yl)ethyl]phenyl}benzamide

8018-3177 Screening compound: 2,4-dichloro-5-(dimethylsulfamoyl)-N-{3-[2-(pyridin-3-yl)ethyl]phenyl}benzamide
8018-3177 Screening compound: 2,4-dichloro-5-(dimethylsulfamoyl)-N-{3-[2-(pyridin-3-yl)ethyl]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3177
2,4-dichloro-5-(dimethylsulfamoyl)-N-{3-[2-(pyridin-3-yl)ethyl]phenyl}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

8018-3177

Molecular Formula

C22H21Cl2N3O3S (C22 H21 Cl2 N3 O3 S)

Compound Name

2,4-dichloro-5-(dimethylsulfamoyl)-N-{3-[2-(pyridin-3-yl)ethyl]phenyl}benzamide

IUPAC name

24-dichloro-5-(dimethylsulfamoyl)-N-{3-[2-(pyridin-3-yl)ethyl]phenyl}benzamide

SMILES

CN(C)S(c(cc(C(Nc1cc(CCc2cnccc2)ccc1)=O)c(Cl)c1)c1Cl)(=O)=O

InChI

InChI=1S/C22H21Cl2N3O3S/c1-27(2)31(29,30)21-12-18(19(23)13-20(21)24)22(28)26-17-7-3-5-15(11-17)8-9-16-6-4-10-25-14-16/h3-7,10-14H,8-9H2,1-2H3,(H,26,28)

InChI Key

QMXMPAQOJUAJBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.205

Distribution Coefficient, logD

4.190

Water Solubility, LogSw

-4.69

Polar Surface Area

66.240

Acid Dissociation Constant (pKa)

8.90

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

8018-3177 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8018-3177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3177?
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What is the minimum amount of 8018-3177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3177
  • 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 8018-3177 available by request