6809-0064 Screening compound: N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide

6809-0064 Screening compound: N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide
6809-0064 Screening compound: N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6809-0064
N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)-2-(4-phenylpiperazin-1-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

6809-0064

Molecular Formula

C28H29N5O (C28 H29 N5 O)

Compound Name

N-(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide

IUPAC name

N-(4-methyl-3-phenyl-3H-15-benzodiazepin-2-yl)-2-(4-phenylpiperazin-1-yl)acetamide

SMILES

CC(C1c2ccccc2)=Nc(cccc2)c2N=C1NC(CN(CC1)CCN1c1ccccc1)=O

InChI

InChI=1S/C28H29N5O/c1-21-27(22-10-4-2-5-11-22)28(30-25-15-9-8-14-24(25)29-21)31-26(34)20-32-16-18-33(19-17-32)23-12-6-3-7-13-23/h2-15,27H,16-20H2,1H3,(H,30,31,34)/t27-/m1/s1

InChI Key

GPSVMBPHFWOGDS-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD04175679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.309

Distribution Coefficient, logD

4.305

Water Solubility, LogSw

-4.13

Polar Surface Area

47.323

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

5.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

6809-0064 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 6809-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6809-0064?
Check Price and Availability of 6809-0064, 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 6809-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6809-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6809-0064
  • 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 6809-0064 available by request