4912-0227 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-methylurea

4912-0227 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-methylurea
4912-0227 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4912-0227
N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-methylurea

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

4912-0227

Molecular Formula

C6H12N2O3S (C6 H12 N2 O3 S)

Compound Name

N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N'-methylurea

IUPAC name

1-(11-dioxo-1lambda6-thiolan-3-yl)-3-methylurea

SMILES

CNC(NC(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C6H12N2O3S/c1-7-6(9)8-5-2-3-12(10,11)4-5/h5H,2-4H2,1H3,(H2,7,8,9)/t5-/m1/s1

InChI Key

XHKFCYMUEVGIHO-RXMQYKEDSA-N

MDL Number (MFCD)

MFCD00188331

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

192.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-1.297

Distribution Coefficient, logD

-1.297

Water Solubility, LogSw

-1.27

Polar Surface Area

63.770

Acid Dissociation Constant (pKa)

16.59

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

83.30

4912-0227 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4912-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4912-0227?
Check Price and Availability of 4912-0227, 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 4912-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4912-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4912-0227
  • 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 4912-0227 available by request