D305-0772 Screening compound: N-{1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-phenoxyacetamide

D305-0772 Screening compound: N-{1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-phenoxyacetamide
D305-0772 Screening compound: N-{1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-phenoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0772
N-{1-methyl-2-[(4-propanoylpiperazin-1-yl)methyl]-1H-1,3-benzodiazol-5-yl}-2-phenoxyacetamide

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

D305-0772

Molecular Formula

C24H29N5O3 (C24 H29 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCC(N1CCN(Cc2nc(cc(cc3)NC(COc4ccccc4)=O)c3n2C)CC1)=O

InChI

InChI=1S/C24H29N5O3/c1-3-24(31)29-13-11-28(12-14-29)16-22-26-20-15-18(9-10-21(20)27(22)2)25-23(30)17-32-19-7-5-4-6-8-19/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,25,30)

InChI Key

MACWCPJXRMLXFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09766998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.301

Distribution Coefficient, logD

1.707

Water Solubility, LogSw

-2.98

Polar Surface Area

62.535

Acid Dissociation Constant (pKa)

12.44

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D305-0772 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with D305-0772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0772?
Check Price and Availability of D305-0772, 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 D305-0772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0772
  • 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 D305-0772 available by request