D305-0007 Screening compound: N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

D305-0007 Screening compound: N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide
D305-0007 Screening compound: N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0007
N-{1-methyl-2-[(4-methylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}cyclohexanecarboxamide

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

D305-0007

Molecular Formula

C21H31N5O (C21 H31 N5 O)

Compound Name

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

IUPAC name

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

SMILES

Cn1c(ccc(NC(C2CCCCC2)=O)c2)c2nc1CN1CCN(C)CC1

InChI

InChI=1S/C21H31N5O/c1-24-10-12-26(13-11-24)15-20-23-18-14-17(8-9-19(18)25(20)2)22-21(27)16-6-4-3-5-7-16/h8-9,14,16H,3-7,10-13,15H2,1-2H3,(H,22,27)

InChI Key

AKORGERHWVFBEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09164517

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.51

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

2.214

Distribution Coefficient, logD

1.243

Water Solubility, LogSw

-2.91

Polar Surface Area

42.717

Acid Dissociation Constant (pKa)

11.85

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

D305-0007 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D305-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0007?
Check Price and Availability of D305-0007, 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 D305-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0007
  • 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 D305-0007 available by request