8010-5072 Screening compound: 4-[4-(benzylsulfanyl)-2,6-dinitrobenzoyl]morpholine

8010-5072 Screening compound: 4-[4-(benzylsulfanyl)-2,6-dinitrobenzoyl]morpholine
8010-5072 Screening compound: 4-[4-(benzylsulfanyl)-2,6-dinitrobenzoyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5072
4-[4-(benzylsulfanyl)-2,6-dinitrobenzoyl]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

8010-5072

Molecular Formula

C18H17N3O6S (C18 H17 N3 O6 S)

Compound Name

4-[4-(benzylsulfanyl)-2,6-dinitrobenzoyl]morpholine

IUPAC name

4-[4-(benzylsulfanyl)-26-dinitrobenzoyl]morpholine

SMILES

[O-][N+](c1cc(SCc2ccccc2)cc([N+]([O-])=O)c1C(N1CCOCC1)=O)=O

InChI

InChI=1S/C18H17N3O6S/c22-18(19-6-8-27-9-7-19)17-15(20(23)24)10-14(11-16(17)21(25)26)28-12-13-4-2-1-3-5-13/h1-5,10-11H,6-9,12H2

InChI Key

KABUPJAPVANRRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.42

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.737

Distribution Coefficient, logD

2.737

Water Solubility, LogSw

-3.29

Polar Surface Area

90.685

Acid Dissociation Constant (pKa)

28.82

Base Dissociation Constant (pKb)

-7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

8010-5072 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-5072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5072?
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What is the minimum amount of 8010-5072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5072
  • 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 8010-5072 available by request