8008-0617 Screening compound: [(5-chloropyridin-2-yl)carbamoyl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate

8008-0617 Screening compound: [(5-chloropyridin-2-yl)carbamoyl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate
8008-0617 Screening compound: [(5-chloropyridin-2-yl)carbamoyl]methyl 4-(methylsulfanyl)-2-(phenylformamido)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-0617
[(5-chloropyridin-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

8008-0617

Molecular Formula

C19H20ClN3O4S (C19 H20 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CSCCC(C(OCC(Nc(cc1)ncc1Cl)=O)=O)NC(c1ccccc1)=O

InChI

InChI=1S/C19H20ClN3O4S/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

UXIMPTAWCJJGQK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD01305720

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.9

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

2.978

Distribution Coefficient, logD

2.969

Water Solubility, LogSw

-3.66

Polar Surface Area

78.265

Acid Dissociation Constant (pKa)

9.05

Base Dissociation Constant (pKb)

-0.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

8008-0617 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 8008-0617 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-0617?
Check Price and Availability of 8008-0617, 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 8008-0617 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-0617
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-0617
  • 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 8008-0617 available by request