K781-2365 Screening compound: 4-[(4-bromophenyl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzamide

K781-2365 Screening compound: 4-[(4-bromophenyl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzamide
K781-2365 Screening compound: 4-[(4-bromophenyl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-2365
4-[(4-bromophenyl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]-3-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

K781-2365

Molecular Formula

C19H20BrN3O4S (C19 H20 BrN3 O4 S)

Compound Name

4-[(4-bromophenyl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzamide

IUPAC name

4-[(4-bromophenyl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]-3-nitrobenzamide

SMILES

[O-][N+](c(cc(cc1)C(NCCN2CCOCC2)=O)c1Sc(cc1)ccc1Br)=O

InChI

InChI=1S/C19H20BrN3O4S/c20-15-2-4-16(5-3-15)28-18-6-1-14(13-17(18)23(25)26)19(24)21-7-8-22-9-11-27-12-10-22/h1-6,13H,7-12H2,(H,21,24)

InChI Key

PUPMQCJJQUVUSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02936911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.946

Distribution Coefficient, logD

3.932

Water Solubility, LogSw

-4.19

Polar Surface Area

69.193

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

K781-2365 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K781-2365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-2365?
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What is the minimum amount of K781-2365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-2365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-2365
  • 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 K781-2365 available by request