8005-9250 Screening compound: 4-(methylsulfanyl)-2-[(pyridin-3-yl)formamido]butanoate

8005-9250 Screening compound: 4-(methylsulfanyl)-2-[(pyridin-3-yl)formamido]butanoate
8005-9250 Screening compound: 4-(methylsulfanyl)-2-[(pyridin-3-yl)formamido]butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9250
4-(methylsulfanyl)-2-[(pyridin-3-yl)formamido]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

8005-9250

Molecular Formula

C11H13N2O3S (C11 H13 N2 O3 S)

Compound Name

4-(methylsulfanyl)-2-[(pyridin-3-yl)formamido]butanoate

IUPAC name

4-(methylsulfanyl)-2-[(pyridin-3-yl)formamido]butanoate

SMILES

CSCCC(C([O-])=O)NC(c1cnccc1)=O

InChI

InChI=1S/C11H14N2O3S/c1-17-6-4-9(11(15)16)13-10(14)8-3-2-5-12-7-8/h2-3,5,7,9H,4,6H2,1H3,(H,13,14)(H,15,16)/p-1/t9-/m0/s1

InChI Key

XPOZUYPEUMYKMV-VIFPVBQESA-M

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Na+

Molecular Weight

253.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.370

Distribution Coefficient, logD

-0.370

Water Solubility, LogSw

-1.21

Polar Surface Area

62.480

Acid Dissociation Constant (pKa)

13.23

Base Dissociation Constant (pKb)

2.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

8005-9250 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8005-9250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9250?
Check Price and Availability of 8005-9250, 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 8005-9250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9250
  • 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 8005-9250 available by request