5514-0129 Screening compound: 4-bromo-N-[(Z)-(4-chlorophenyl)(morpholin-4-yl)methylidene]benzene-1-sulfonamide

5514-0129 Screening compound: 4-bromo-N-[(Z)-(4-chlorophenyl)(morpholin-4-yl)methylidene]benzene-1-sulfonamide
5514-0129 Screening compound: 4-bromo-N-[(Z)-(4-chlorophenyl)(morpholin-4-yl)methylidene]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5514-0129
4-bromo-N-[(Z)-(4-chlorophenyl)(morpholin-4-yl)methylidene]benzene-1-sulfonamide

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

5514-0129

Molecular Formula

C17H16BrClN2O3S (C17 H16 BrClN2 O3 S)

Compound Name

4-bromo-N-[(Z)-(4-chlorophenyl)(morpholin-4-yl)methylidene]benzene-1-sulfonamide

IUPAC name

4-bromo-N-[(Z)-(4-chlorophenyl)(morpholin-4-yl)methylidene]benzene-1-sulfonamide

SMILES

O=S(c(cc1)ccc1Br)(/N=C(/c(cc1)ccc1Cl)\N1CCOCC1)=O

InChI

InChI=1S/C17H16BrClN2O3S/c18-14-3-7-16(8-4-14)25(22,23)20-17(21-9-11-24-12-10-21)13-1-5-15(19)6-2-13/h1-8H,9-12H2

InChI Key

HUEGNBGEHHTYKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827549

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.215

Distribution Coefficient, logD

4.215

Water Solubility, LogSw

-4.57

Polar Surface Area

50.602

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

5514-0129 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 5514-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5514-0129?
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What is the minimum amount of 5514-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5514-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5514-0129
  • 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 5514-0129 available by request