5743-0126 Screening compound: 1-[2-(morpholin-4-yl)ethyl]-3-(4-sulfamoylphenyl)thiourea

5743-0126 Screening compound: 1-[2-(morpholin-4-yl)ethyl]-3-(4-sulfamoylphenyl)thiourea
5743-0126 Screening compound: 1-[2-(morpholin-4-yl)ethyl]-3-(4-sulfamoylphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5743-0126
1-[2-(morpholin-4-yl)ethyl]-3-(4-sulfamoylphenyl)thiourea

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

5743-0126

Molecular Formula

C13H20N4O3S2 (C13 H20 N4 O3 S2)

Compound Name

1-[2-(morpholin-4-yl)ethyl]-3-(4-sulfamoylphenyl)thiourea

IUPAC name

1-[2-(morpholin-4-yl)ethyl]-3-(4-sulfamoylphenyl)thiourea

SMILES

NS(c(cc1)ccc1NC(NCCN1CCOCC1)=S)(=O)=O

InChI

InChI=1S/C13H20N4O3S2/c14-22(18,19)12-3-1-11(2-4-12)16-13(21)15-5-6-17-7-9-20-10-8-17/h1-4H,5-10H2,(H2,14,18,19)(H2,15,16,21)

InChI Key

QPLZYOSAFQVOIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03352348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.232

Distribution Coefficient, logD

-1.094

Water Solubility, LogSw

-1.96

Polar Surface Area

82.719

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

8.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

5743-0126 in Drug Discovery

Included in Screening Libraries

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

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 5743-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5743-0126?
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What is the minimum amount of 5743-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5743-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5743-0126
  • 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 5743-0126 available by request