1189-0817 Screening compound: N-[1-(adamantan-1-yl)-2-(morpholin-4-yl)-2-oxoethyl]-4-nitrobenzamide

1189-0817 Screening compound: N-[1-(adamantan-1-yl)-2-(morpholin-4-yl)-2-oxoethyl]-4-nitrobenzamide
1189-0817 Screening compound: N-[1-(adamantan-1-yl)-2-(morpholin-4-yl)-2-oxoethyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1189-0817
N-[1-(adamantan-1-yl)-2-(morpholin-4-yl)-2-oxoethyl]-4-nitrobenzamide

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

1189-0817

Molecular Formula

C23H29N3O5 (C23 H29 N3 O5)

Compound Name

N-[1-(adamantan-1-yl)-2-(morpholin-4-yl)-2-oxoethyl]-4-nitrobenzamide

IUPAC name

N-[1-(adamantan-1-yl)-2-(morpholin-4-yl)-2-oxoethyl]-4-nitrobenzamide

SMILES

[O-][N+](c(cc1)ccc1C(NC(C1(CC(C2)C3)CC3CC2C1)C(N1CCOCC1)=O)=O)=O

InChI

InChI=1S/C23H29N3O5/c27-21(18-1-3-19(4-2-18)26(29)30)24-20(22(28)25-5-7-31-8-6-25)23-12-15-9-16(13-23)11-17(10-15)14-23/h1-4,15-17,20H,5-14H2,(H,24,27)/t15?,16?,17?,20-,23?/m1/s1

InChI Key

YMFWGLPTQSEBTE-LZGZYFLISA-N

MDL Number (MFCD)

MFCD01838611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.920

Distribution Coefficient, logD

2.920

Water Solubility, LogSw

-3.44

Polar Surface Area

81.976

Acid Dissociation Constant (pKa)

10.81

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

1189-0817 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 1189-0817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1189-0817?
Check Price and Availability of 1189-0817, 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 1189-0817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1189-0817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1189-0817
  • 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 1189-0817 available by request