0819-0638 Screening compound: 4-[(1E,3E)-1-(benzylsulfanyl)-4-bromo-3,4-dichloro-2-nitrobuta-1,3-dien-1-yl]morpholine

0819-0638 Screening compound: 4-[(1E,3E)-1-(benzylsulfanyl)-4-bromo-3,4-dichloro-2-nitrobuta-1,3-dien-1-yl]morpholine
0819-0638 Screening compound: 4-[(1E,3E)-1-(benzylsulfanyl)-4-bromo-3,4-dichloro-2-nitrobuta-1,3-dien-1-yl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0819-0638
4-[(1E,3E)-1-(benzylsulfanyl)-4-bromo-3,4-dichloro-2-nitrobuta-1,3-dien-1-yl]morpholine

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

0819-0638

Molecular Formula

C15H15BrCl2N2O3S (C15 H15 BrCl2 N2 O3 S)

Compound Name

4-[(1E,3E)-1-(benzylsulfanyl)-4-bromo-3,4-dichloro-2-nitrobuta-1,3-dien-1-yl]morpholine

IUPAC name

4-[(1E3E)-1-(benzylsulfanyl)-4-bromo-34-dichloro-2-nitrobuta-13-dien-1-yl]morpholine

SMILES

[O-][N+](/C(/C(/Cl)=C(/Cl)\Br)=C(\N1CCOCC1)/SCc1ccccc1)=O

InChI

InChI=1S/C15H15BrCl2N2O3S/c16-14(18)12(17)13(20(21)22)15(19-6-8-23-9-7-19)24-10-11-4-2-1-3-5-11/h1-5H,6-10H2

InChI Key

MXTLNWMVMIFHMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00992489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.17

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.573

Distribution Coefficient, logD

4.573

Water Solubility, LogSw

-4.71

Polar Surface Area

44.208

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

-1.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

0819-0638 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0819-0638 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0819-0638?
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What is the minimum amount of 0819-0638 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0819-0638
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0819-0638
  • 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 0819-0638 available by request