D305-0114 Screening compound: N-{2-[(4-methylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}propanamide

D305-0114 Screening compound: N-{2-[(4-methylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}propanamide
D305-0114 Screening compound: N-{2-[(4-methylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0114
N-{2-[(4-methylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}propanamide

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

D305-0114

Molecular Formula

C19H29N5O (C19 H29 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CCC(Nc(cc1)cc2c1n(C(C)C)c(CN1CCN(C)CC1)n2)=O

InChI

InChI=1S/C19H29N5O/c1-5-19(25)20-15-6-7-17-16(12-15)21-18(24(17)14(2)3)13-23-10-8-22(4)9-11-23/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,20,25)

InChI Key

GHJCCVKBLRQIMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09767078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.47

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

1.879

Distribution Coefficient, logD

0.908

Water Solubility, LogSw

-2.74

Polar Surface Area

42.849

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

D305-0114 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D305-0114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0114?
Check Price and Availability of D305-0114, 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 D305-0114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0114
  • 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 D305-0114 available by request