8006-7084 Screening compound: [(5-bromopyridin-2-yl)carbamoyl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate

8006-7084 Screening compound: [(5-bromopyridin-2-yl)carbamoyl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate
8006-7084 Screening compound: [(5-bromopyridin-2-yl)carbamoyl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-7084
[(5-bromopyridin-2-yl)carbamoyl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate

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

8006-7084

Molecular Formula

C19H20BrN3O4S (C19 H20 BrN3 O4 S)

Compound Name

[(5-bromopyridin-2-yl)carbamoyl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate

IUPAC name

[(5-bromopyridin-2-yl)carbamoyl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate

SMILES

CSCCC(C(OCC(Nc(cc1)ncc1Br)=O)=O)NC(c1ccccc1)=O

InChI

InChI=1S/C19H20BrN3O4S/c1-28-10-9-15(22-18(25)13-5-3-2-4-6-13)19(26)27-12-17(24)23-16-8-7-14(20)11-21-16/h2-8,11,15H,9-10,12H2,1H3,(H,22,25)(H,21,23,24)/t15-/m0/s1

InChI Key

UGSNAQATILQSDC-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00826316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.072

Distribution Coefficient, logD

3.062

Water Solubility, LogSw

-3.40

Polar Surface Area

78.265

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

-0.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

8006-7084 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Proteases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-7084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-7084?
Check Price and Availability of 8006-7084, 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 8006-7084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-7084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-7084
  • 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 8006-7084 available by request