8010-5846 Screening compound: 4-(benzylsulfanyl)-N~1~,N~1~-diethyl-2,6-dinitrobenzamide

8010-5846 Screening compound: 4-(benzylsulfanyl)-N~1~,N~1~-diethyl-2,6-dinitrobenzamide
8010-5846 Screening compound: 4-(benzylsulfanyl)-N~1~,N~1~-diethyl-2,6-dinitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-5846
4-(benzylsulfanyl)-N~1~,N~1~-diethyl-2,6-dinitrobenzamide

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

8010-5846

Molecular Formula

C18H19N3O5S (C18 H19 N3 O5 S)

Compound Name

4-(benzylsulfanyl)-N~1~,N~1~-diethyl-2,6-dinitrobenzamide

IUPAC name

4-(benzylsulfanyl)-NN-diethyl-26-dinitrobenzamide

SMILES

CCN(CC)C(c(c([N+]([O-])=O)cc(SCc1ccccc1)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C18H19N3O5S/c1-3-19(4-2)18(22)17-15(20(23)24)10-14(11-16(17)21(25)26)27-12-13-8-6-5-7-9-13/h5-11H,3-4,12H2,1-2H3

InChI Key

YXQMTNPDJPGVES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02110739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.547

Distribution Coefficient, logD

3.547

Water Solubility, LogSw

-4.12

Polar Surface Area

82.060

Acid Dissociation Constant (pKa)

29.11

Base Dissociation Constant (pKb)

-4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

References: we are preparing a list of scientific research reports with 8010-5846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-5846?
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What is the minimum amount of 8010-5846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-5846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-5846
  • 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 8010-5846 available by request