C301-2839 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

C301-2839 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
C301-2839 Screening compound: N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-2839
N-{3-[4-(2-fluorophenyl)piperazin-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

C301-2839

Molecular Formula

C26H32FN5O5 (C26 H32 FN5 O5)

Compound Name

N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3,4-oxadiazole-2-carboxamide

IUPAC name

N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}-5-[(345-trimethoxyphenyl)methyl]-134-oxadiazole-2-carboxamide

SMILES

COc1cc(Cc2nnc(C(NCCCN(CC3)CCN3c(cccc3)c3F)=O)o2)cc(OC)c1OC

InChI

InChI=1S/C26H32FN5O5/c1-34-21-15-18(16-22(35-2)24(21)36-3)17-23-29-30-26(37-23)25(33)28-9-6-10-31-11-13-32(14-12-31)20-8-5-4-7-19(20)27/h4-5,7-8,15-16H,6,9-14,17H2,1-3H3,(H,28,33)

InChI Key

HCCMOTIMOBFLLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14742823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.089

Distribution Coefficient, logD

1.787

Water Solubility, LogSw

-3.03

Polar Surface Area

84.594

Acid Dissociation Constant (pKa)

14.21

Base Dissociation Constant (pKb)

7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

C301-2839 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 C301-2839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-2839?
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What is the minimum amount of C301-2839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-2839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-2839
  • 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 C301-2839 available by request