4912-0681 Screening compound: 2-[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]hexanoic acid

4912-0681 Screening compound: 2-[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]hexanoic acid
4912-0681 Screening compound: 2-[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4912-0681
2-[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]hexanoic acid

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

4912-0681

Molecular Formula

C10H19NO4S (C10 H19 NO4 S)

Compound Name

2-[(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)amino]hexanoic acid

IUPAC name

2-[(11-dioxo-1lambda6-thiolan-3-yl)amino]hexanoic acid

SMILES

CCCCC(C(O)=O)NC(CC1)CS1(=O)=O

InChI

InChI=1S/C10H19NO4S/c1-2-3-4-9(10(12)13)11-8-5-6-16(14,15)7-8/h8-9,11H,2-7H2,1H3,(H,12,13)

InChI Key

ICGVLMZRVUOAQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00449172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

249.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.332

Distribution Coefficient, logD

-3.331

Water Solubility, LogSw

-1.36

Polar Surface Area

68.268

Acid Dissociation Constant (pKa)

2.53

Base Dissociation Constant (pKb)

6.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

90.00

4912-0681 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 4912-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4912-0681?
Check Price and Availability of 4912-0681, 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 4912-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4912-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4912-0681
  • 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 4912-0681 available by request