D305-0300 Screening compound: N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}pentanamide

D305-0300 Screening compound: N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}pentanamide
D305-0300 Screening compound: N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0300
N-{2-[(4-ethylpiperazin-1-yl)methyl]-1-(propan-2-yl)-1H-1,3-benzodiazol-5-yl}pentanamide

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

D305-0300

Molecular Formula

C22H35N5O (C22 H35 N5 O)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H35N5O/c1-5-7-8-22(28)23-18-9-10-20-19(15-18)24-21(27(20)17(3)4)16-26-13-11-25(6-2)12-14-26/h9-10,15,17H,5-8,11-14,16H2,1-4H3,(H,23,28)

InChI Key

PRAXSQQQCVMBJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14279867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.035

Distribution Coefficient, logD

1.924

Water Solubility, LogSw

-3.18

Polar Surface Area

42.909

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

D305-0300 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

CNS BBB Library (22607 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with D305-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0300?
Check Price and Availability of D305-0300, 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 D305-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0300
  • 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 D305-0300 available by request