4912-0530 Screening compound: butyl N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)carbamate

4912-0530 Screening compound: butyl N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)carbamate
4912-0530 Screening compound: butyl N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4912-0530
butyl N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)carbamate

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

4912-0530

Molecular Formula

C9H17NO4S (C9 H17 NO4 S)

Compound Name

butyl N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)carbamate

IUPAC name

butyl N-(11-dioxo-1lambda6-thiolan-3-yl)carbamate

SMILES

CCCCOC(NC(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C9H17NO4S/c1-2-3-5-14-9(11)10-8-4-6-15(12,13)7-8/h8H,2-7H2,1H3,(H,10,11)/t8-/m1/s1

InChI Key

LJLBUIMBYGUEQG-MRVPVSSYSA-N

MDL Number (MFCD)

MFCD00449155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.125

Distribution Coefficient, logD

1.125

Water Solubility, LogSw

-1.75

Polar Surface Area

61.461

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

-2.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

88.90

4912-0530 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4912-0530 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4912-0530?
Check Price and Availability of 4912-0530, 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 4912-0530 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4912-0530
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4912-0530
  • 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 4912-0530 available by request