C301-2617 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C301-2617 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
C301-2617 Screening compound: N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-2617
N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

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

C301-2617

Molecular Formula

C27H35N5O5 (C27 H35 N5 O5)

Compound Name

N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

IUPAC name

N-[3-(4-benzylpiperazin-1-yl)propyl]-5-[(345-trimethoxyphenyl)methyl]-134-oxadiazole-2-carboxamide

SMILES

COc1cc(Cc2nnc(C(NCCCN3CCN(Cc4ccccc4)CC3)=O)o2)cc(OC)c1OC

InChI

InChI=1S/C27H35N5O5/c1-34-22-16-21(17-23(35-2)25(22)36-3)18-24-29-30-27(37-24)26(33)28-10-7-11-31-12-14-32(15-13-31)19-20-8-5-4-6-9-20/h4-6,8-9,16-17H,7,10-15,18-19H2,1-3H3,(H,28,33)

InChI Key

ALTHZMYJTBKZQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14742676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.591

Distribution Coefficient, logD

0.820

Water Solubility, LogSw

-2.25

Polar Surface Area

85.175

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

8.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C301-2617 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C301-2617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-2617?
Check Price and Availability of C301-2617, 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 C301-2617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-2617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-2617
  • 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 C301-2617 available by request