D305-0054 Screening compound: N-{1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-4-nitrobenzamide

D305-0054 Screening compound: N-{1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-4-nitrobenzamide
D305-0054 Screening compound: N-{1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0054
N-{1-ethyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-4-nitrobenzamide

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

D305-0054

Molecular Formula

C22H26N6O3 (C22 H26 N6 O3)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(ccc(NC(c(cc2)ccc2[N+]([O-])=O)=O)c2)c2nc1CN1CCN(C)CC1

InChI

InChI=1S/C22H26N6O3/c1-3-27-20-9-6-17(23-22(29)16-4-7-18(8-5-16)28(30)31)14-19(20)24-21(27)15-26-12-10-25(2)11-13-26/h4-9,14H,3,10-13,15H2,1-2H3,(H,23,29)

InChI Key

MDUSOBOGDOPDMB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09767087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.676

Distribution Coefficient, logD

1.705

Water Solubility, LogSw

-3.03

Polar Surface Area

74.821

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D305-0054 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D305-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0054?
Check Price and Availability of D305-0054, 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 D305-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0054
  • 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 D305-0054 available by request