C301-5479 Screening compound: N-[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine

C301-5479 Screening compound: N-[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine
C301-5479 Screening compound: N-[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5479
N-[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine

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

C301-5479

Molecular Formula

C25H22ClN3O (C25 H22 ClN3 O)

Compound Name

N-[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalen-1-amine

IUPAC name

N-[(4-chlorophenyl)(5-phenyl-134-oxadiazol-2-yl)methyl]-5678-tetrahydronaphthalen-1-amine

SMILES

Clc1ccc(C(c2nnc(-c3ccccc3)o2)Nc2c(CCCC3)c3ccc2)cc1

InChI

InChI=1S/C25H22ClN3O/c26-20-15-13-18(14-16-20)23(25-29-28-24(30-25)19-8-2-1-3-9-19)27-22-12-6-10-17-7-4-5-11-21(17)22/h1-3,6,8-10,12-16,23,27H,4-5,7,11H2/t23-/m1/s1

InChI Key

ASBNQIIDXZFWTP-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14744001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.534

Distribution Coefficient, logD

6.534

Water Solubility, LogSw

-6.79

Polar Surface Area

39.292

Acid Dissociation Constant (pKa)

17.91

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

C301-5479 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C301-5479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5479?
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What is the minimum amount of C301-5479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5479
  • 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 C301-5479 available by request