8004-2766 Screening compound: 2-amino-6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile

8004-2766 Screening compound: 2-amino-6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile
8004-2766 Screening compound: 2-amino-6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-2766
2-amino-6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile

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

8004-2766

Molecular Formula

C15H9BrN4OS (C15 H9 BrN4 OS)

Compound Name

2-amino-6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}pyridine-3,5-dicarbonitrile

IUPAC name

2-amino-6-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}pyridine-35-dicarbonitrile

SMILES

Nc(nc(c(C#N)c1)SCC(c(cc2)ccc2Br)=O)c1C#N

InChI

InChI=1S/C15H9BrN4OS/c16-12-3-1-9(2-4-12)13(21)8-22-15-11(7-18)5-10(6-17)14(19)20-15/h1-5H,8H2,(H2,19,20)

InChI Key

NZUXFBXAQNPSMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00403815

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.984

Distribution Coefficient, logD

2.984

Water Solubility, LogSw

-3.50

Polar Surface Area

76.770

Acid Dissociation Constant (pKa)

15.60

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

8004-2766 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8004-2766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-2766?
Check Price and Availability of 8004-2766, 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 8004-2766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-2766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-2766
  • 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 8004-2766 available by request