8015-0812 Screening compound: 5-bromo-N~3~-[2-(ethylsulfanyl)ethyl]nicotinamide

8015-0812 Screening compound: 5-bromo-N~3~-[2-(ethylsulfanyl)ethyl]nicotinamide
8015-0812 Screening compound: 5-bromo-N~3~-[2-(ethylsulfanyl)ethyl]nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0812
5-bromo-N~3~-[2-(ethylsulfanyl)ethyl]nicotinamide

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

8015-0812

Molecular Formula

C10H13BrN2OS (C10 H13 BrN2 OS)

Compound Name

5-bromo-N~3~-[2-(ethylsulfanyl)ethyl]nicotinamide

IUPAC name

5-bromo-N-[2-(ethylsulfanyl)ethyl]pyridine-3-carboxamide

SMILES

CCSCCNC(c1cc(Br)cnc1)=O

InChI

InChI=1S/C10H13BrN2OS/c1-2-15-4-3-13-10(14)8-5-9(11)7-12-6-8/h5-7H,2-4H2,1H3,(H,13,14)

InChI Key

MHXYCZFXLCKWIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.2

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.126

Distribution Coefficient, logD

2.126

Water Solubility, LogSw

-2.34

Polar Surface Area

34.372

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8015-0812 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-0812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0812?
Check Price and Availability of 8015-0812, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8015-0812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0812
  • 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 8015-0812 available by request