D305-0013 Screening compound: 2-chloro-N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide

D305-0013 Screening compound: 2-chloro-N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide
D305-0013 Screening compound: 2-chloro-N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0013
2-chloro-N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-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

D305-0013

Molecular Formula

C21H24ClN5O (C21 H24 ClN5 O)

Compound Name

2-chloro-N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}benzamide

IUPAC name

2-chloro-N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-13-benzodiazol-5-yl}benzamide

SMILES

Cn1c(ccc(NC(c(cccc2)c2Cl)=O)c2)c2nc1CN1CCN(C)CC1

InChI

InChI=1S/C21H24ClN5O/c1-25-9-11-27(12-10-25)14-20-24-18-13-15(7-8-19(18)26(20)2)23-21(28)16-5-3-4-6-17(16)22/h3-8,13H,9-12,14H2,1-2H3,(H,23,28)

InChI Key

WGWKTAFFMWNYEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09164523

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.566

Distribution Coefficient, logD

1.595

Water Solubility, LogSw

-3.64

Polar Surface Area

42.525

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D305-0013 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D305-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0013?
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What is the minimum amount of D305-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0013
  • 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 D305-0013 available by request