8009-5015 Screening compound: N-[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]-1H-1,3-benzodiazol-2-amine

8009-5015 Screening compound: N-[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]-1H-1,3-benzodiazol-2-amine
8009-5015 Screening compound: N-[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5015
N-[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]-1H-1,3-benzodiazol-2-amine

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

8009-5015

Molecular Formula

C28H32N6 (C28 H32 N6)

Compound Name

N-[(1-benzyl-1H-1,3-benzodiazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]-1H-1,3-benzodiazol-2-amine

IUPAC name

N-[(1-benzyl-1H-13-benzodiazol-2-yl)methyl]-1-[2-(diethylamino)ethyl]-1H-13-benzodiazol-2-amine

SMILES

CCN(CC)CCn1c(NCc2nc(cccc3)c3n2Cc2ccccc2)nc2c1cccc2

InChI

InChI=1S/C28H32N6/c1-3-32(4-2)18-19-33-25-16-10-9-15-24(25)31-28(33)29-20-27-30-23-14-8-11-17-26(23)34(27)21-22-12-6-5-7-13-22/h5-17H,3-4,18-21H2,1-2H3,(H,29,31)

InChI Key

AWZHEICVGLZJBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01470354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.6

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.683

Distribution Coefficient, logD

3.323

Water Solubility, LogSw

-5.71

Polar Surface Area

36.875

Acid Dissociation Constant (pKa)

18.17

Base Dissociation Constant (pKb)

9.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8009-5015 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8009-5015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5015?
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What is the minimum amount of 8009-5015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5015
  • 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 8009-5015 available by request