G706-0896 Screening compound: N-[2-(adamantan-1-yl)ethyl]-2-benzyl-1,3-benzoxazole-6-carboxamide

G706-0896 Screening compound: N-[2-(adamantan-1-yl)ethyl]-2-benzyl-1,3-benzoxazole-6-carboxamide
G706-0896 Screening compound: N-[2-(adamantan-1-yl)ethyl]-2-benzyl-1,3-benzoxazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G706-0896
N-[2-(adamantan-1-yl)ethyl]-2-benzyl-1,3-benzoxazole-6-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

G706-0896

Molecular Formula

C27H30N2O2 (C27 H30 N2 O2)

Compound Name

N-[2-(adamantan-1-yl)ethyl]-2-benzyl-1,3-benzoxazole-6-carboxamide

IUPAC name

N-[2-(adamantan-1-yl)ethyl]-2-benzyl-13-benzoxazole-6-carboxamide

SMILES

O=C(c(cc1)cc2c1nc(Cc1ccccc1)o2)NCCC1(CC(C2)C3)CC3CC2C1

InChI

InChI=1S/C27H30N2O2/c30-26(28-9-8-27-15-19-10-20(16-27)12-21(11-19)17-27)22-6-7-23-24(14-22)31-25(29-23)13-18-4-2-1-3-5-18/h1-7,14,19-21H,8-13,15-17H2,(H,28,30)

InChI Key

PWNOECHZDRZTRB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.094

Distribution Coefficient, logD

6.094

Water Solubility, LogSw

-6.12

Polar Surface Area

41.003

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

G706-0896 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 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:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 G706-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G706-0896?
Check Price and Availability of G706-0896, 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 G706-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G706-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G706-0896
  • 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 G706-0896 available by request