D305-0627 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-4-tert-butylbenzamide

D305-0627 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-4-tert-butylbenzamide
D305-0627 Screening compound: N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-4-tert-butylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0627
N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-4-tert-butylbenzamide

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

D305-0627

Molecular Formula

C27H35N5O2 (C27 H35 N5 O2)

Compound Name

N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazol-5-yl}-4-tert-butylbenzamide

IUPAC name

N-{2-[(4-acetylpiperazin-1-yl)methyl]-1-ethyl-1H-13-benzodiazol-5-yl}-4-tert-butylbenzamide

SMILES

CCn1c(ccc(NC(c2ccc(C(C)(C)C)cc2)=O)c2)c2nc1CN(CC1)CCN1C(C)=O

InChI

InChI=1S/C27H35N5O2/c1-6-32-24-12-11-22(28-26(34)20-7-9-21(10-8-20)27(3,4)5)17-23(24)29-25(32)18-30-13-15-31(16-14-30)19(2)33/h7-12,17H,6,13-16,18H2,1-5H3,(H,28,34)

InChI Key

QEVJBRYTJIPGTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09767193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.369

Distribution Coefficient, logD

4.363

Water Solubility, LogSw

-4.09

Polar Surface Area

55.159

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

D305-0627 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D305-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0627?
Check Price and Availability of D305-0627, 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 D305-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0627
  • 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 D305-0627 available by request