G418-0052 Screening compound: 2-(adamantan-1-yl)-N-[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

G418-0052 Screening compound: 2-(adamantan-1-yl)-N-[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
G418-0052 Screening compound: 2-(adamantan-1-yl)-N-[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G418-0052
2-(adamantan-1-yl)-N-[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

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

G418-0052

Molecular Formula

C27H28ClN3O2 (C27 H28 ClN3 O2)

Compound Name

2-(adamantan-1-yl)-N-[(4-chlorophenyl)(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide

IUPAC name

2-(adamantan-1-yl)-N-[(4-chlorophenyl)(5-phenyl-134-oxadiazol-2-yl)methyl]acetamide

SMILES

O=C(CC1(CC(C2)C3)CC3CC2C1)NC(c1nnc(-c2ccccc2)o1)c(cc1)ccc1Cl

InChI

InChI=1S/C27H28ClN3O2/c28-22-8-6-20(7-9-22)24(26-31-30-25(33-26)21-4-2-1-3-5-21)29-23(32)16-27-13-17-10-18(14-27)12-19(11-17)15-27/h1-9,17-19,24H,10-16H2,(H,29,32)/t17?,18?,19?,24-,27?/m1/s1

InChI Key

VUOAFWLUTRDWCT-OBVAKMOBSA-N

MDL Number (MFCD)

MFCD12129723

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.060

Distribution Coefficient, logD

6.059

Water Solubility, LogSw

-6.49

Polar Surface Area

54.068

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

-5.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

G418-0052 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Aurora A-B Kinases Targeted Library (9426 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
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with G418-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G418-0052?
Check Price and Availability of G418-0052, 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 G418-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G418-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G418-0052
  • 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 G418-0052 available by request