C301-5070 Screening compound: 2-[(adamantan-1-yl)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole

C301-5070 Screening compound: 2-[(adamantan-1-yl)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
C301-5070 Screening compound: 2-[(adamantan-1-yl)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5070
2-[(adamantan-1-yl)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole

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

C301-5070

Molecular Formula

C20H24N2O (C20 H24 N2 O)

Compound Name

2-[(adamantan-1-yl)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole

IUPAC name

2-[(adamantan-1-yl)methyl]-5-(2-methylphenyl)-134-oxadiazole

SMILES

Cc(cccc1)c1-c1nnc(CC2(CC(C3)C4)CC4CC3C2)o1

InChI

InChI=1S/C20H24N2O/c1-13-4-2-3-5-17(13)19-22-21-18(23-19)12-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,14-16H,6-12H2,1H3

InChI Key

ITPUYHDCLZRGER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14757708

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.099

Distribution Coefficient, logD

5.099

Water Solubility, LogSw

-5.09

Polar Surface Area

30.182

Acid Dissociation Constant (pKa)

25.53

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

C301-5070 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C301-5070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5070?
Check Price and Availability of C301-5070, 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 C301-5070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5070
  • 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 C301-5070 available by request