8016-9652 Screening compound: N-[2-(ethylsulfanyl)ethyl]-N-(5-nitro-2-pyridyl)amine

8016-9652 Screening compound: N-[2-(ethylsulfanyl)ethyl]-N-(5-nitro-2-pyridyl)amine
8016-9652 Screening compound: N-[2-(ethylsulfanyl)ethyl]-N-(5-nitro-2-pyridyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9652
N-[2-(ethylsulfanyl)ethyl]-N-(5-nitro-2-pyridyl)amine

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

8016-9652

Molecular Formula

C9H13N3O2S (C9 H13 N3 O2 S)

Compound Name

N-[2-(ethylsulfanyl)ethyl]-N-(5-nitro-2-pyridyl)amine

IUPAC name

N-[2-(ethylsulfanyl)ethyl]-5-nitropyridin-2-amine

SMILES

CCSCCNc(cc1)ncc1[N+]([O-])=O

InChI

InChI=1S/C9H13N3O2S/c1-2-15-6-5-10-9-4-3-8(7-11-9)12(13)14/h3-4,7H,2,5-6H2,1H3,(H,10,11)

InChI Key

IDBSZEIYJPLESP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

227.29

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.484

Distribution Coefficient, logD

2.484

Water Solubility, LogSw

-2.52

Polar Surface Area

53.672

Acid Dissociation Constant (pKa)

16.57

Base Dissociation Constant (pKb)

2.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

References: we are preparing a list of scientific research reports with 8016-9652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9652?
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What is the minimum amount of 8016-9652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9652
  • 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 8016-9652 available by request