D277-0500 Screening compound: 2-[(4-methylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazole

D277-0500 Screening compound: 2-[(4-methylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazole
D277-0500 Screening compound: 2-[(4-methylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D277-0500
2-[(4-methylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazole

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

D277-0500

Molecular Formula

C16H24N4 (C16 H24 N4)

Compound Name

2-[(4-methylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazole

IUPAC name

n/a

SMILES

CC(C)n1c(cccc2)c2nc1CN1CCN(C)CC1

InChI

InChI=1S/C16H24N4/c1-13(2)20-15-7-5-4-6-14(15)17-16(20)12-19-10-8-18(3)9-11-19/h4-7,13H,8-12H2,1-3H3

InChI Key

QJQGGKBGIQIZRV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06591938

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

272.39

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.977

Distribution Coefficient, logD

1.006

Water Solubility, LogSw

-1.93

Polar Surface Area

19.699

Acid Dissociation Constant (pKa)

21.76

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

D277-0500 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D277-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D277-0500?
Check Price and Availability of D277-0500, 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 D277-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D277-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D277-0500
  • 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 D277-0500 available by request