SB92-0454 Screening compound: N-benzyl-3-{[2-(morpholin-4-yl)ethyl](propylcarbamoyl)amino}azetidine-1-carboxamide

SB92-0454 Screening compound: N-benzyl-3-{[2-(morpholin-4-yl)ethyl](propylcarbamoyl)amino}azetidine-1-carboxamide
SB92-0454 Screening compound: N-benzyl-3-{[2-(morpholin-4-yl)ethyl](propylcarbamoyl)amino}azetidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB92-0454
N-benzyl-3-{[2-(morpholin-4-yl)ethyl](propylcarbamoyl)amino}azetidine-1-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

SB92-0454

Molecular Formula

C21H33N5O3 (C21 H33 N5 O3)

Compound Name

N-benzyl-3-{[2-(morpholin-4-yl)ethyl](propylcarbamoyl)amino}azetidine-1-carboxamide

IUPAC name

N-benzyl-3-{[2-(morpholin-4-yl)ethyl](propylcarbamoyl)amino}azetidine-1-carboxamide

SMILES

CCCNC(N(CCN1CCOCC1)C(C1)CN1C(NCc1ccccc1)=O)=O

InChI

InChI=1S/C21H33N5O3/c1-2-8-22-21(28)26(10-9-24-11-13-29-14-12-24)19-16-25(17-19)20(27)23-15-18-6-4-3-5-7-18/h3-7,19H,2,8-17H2,1H3,(H,22,28)(H,23,27)

InChI Key

ORWQBSKJLWEJOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32249850

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.383

Distribution Coefficient, logD

0.537

Water Solubility, LogSw

-1.77

Polar Surface Area

64.345

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

SB92-0454 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with SB92-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB92-0454?
Check Price and Availability of SB92-0454, 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 SB92-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB92-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB92-0454
  • 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 SB92-0454 available by request