D305-1013 Screening compound: 2-(2-chlorophenoxy)-N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}acetamide

D305-1013 Screening compound: 2-(2-chlorophenoxy)-N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}acetamide
D305-1013 Screening compound: 2-(2-chlorophenoxy)-N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-1013
2-(2-chlorophenoxy)-N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}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

D305-1013

Molecular Formula

C22H26ClN5O4S (C22 H26 ClN5 O4 S)

Compound Name

2-(2-chlorophenoxy)-N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}acetamide

IUPAC name

2-(2-chlorophenoxy)-N-{2-[(4-methanesulfonylpiperazin-1-yl)methyl]-1-methyl-1H-13-benzodiazol-5-yl}acetamide

SMILES

Cn1c(ccc(NC(COc(cccc2)c2Cl)=O)c2)c2nc1CN(CC1)CCN1S(C)(=O)=O

InChI

InChI=1S/C22H26ClN5O4S/c1-26-19-8-7-16(24-22(29)15-32-20-6-4-3-5-17(20)23)13-18(19)25-21(26)14-27-9-11-28(12-10-27)33(2,30)31/h3-8,13H,9-12,14-15H2,1-2H3,(H,24,29)

InChI Key

BLOJIVMUKVBVKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09164595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.099

Distribution Coefficient, logD

1.793

Water Solubility, LogSw

-3.10

Polar Surface Area

77.704

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D305-1013 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with D305-1013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-1013?
Check Price and Availability of D305-1013, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D305-1013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-1013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-1013
  • 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 D305-1013 available by request