D305-0376 Screening compound: N-{2-[(4-benzylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-3-methylbenzamide

D305-0376 Screening compound: N-{2-[(4-benzylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-3-methylbenzamide
D305-0376 Screening compound: N-{2-[(4-benzylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D305-0376
N-{2-[(4-benzylpiperazin-1-yl)methyl]-1-methyl-1H-1,3-benzodiazol-5-yl}-3-methylbenzamide

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

D305-0376

Molecular Formula

C28H31N5O (C28 H31 N5 O)

Compound Name

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

IUPAC name

N-{2-[(4-benzylpiperazin-1-yl)methyl]-1-methyl-1H-13-benzodiazol-5-yl}-3-methylbenzamide

SMILES

Cc1cccc(C(Nc(cc2)cc3c2n(C)c(CN2CCN(Cc4ccccc4)CC2)n3)=O)c1

InChI

InChI=1S/C28H31N5O/c1-21-7-6-10-23(17-21)28(34)29-24-11-12-26-25(18-24)30-27(31(26)2)20-33-15-13-32(14-16-33)19-22-8-4-3-5-9-22/h3-12,17-18H,13-16,19-20H2,1-2H3,(H,29,34)

InChI Key

PCQOTMIMXJOEDK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09222878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.980

Distribution Coefficient, logD

3.710

Water Solubility, LogSw

-4.02

Polar Surface Area

42.589

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

7.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D305-0376 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D305-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D305-0376?
Check Price and Availability of D305-0376, 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 D305-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D305-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D305-0376
  • 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 D305-0376 available by request