4912-0328 Screening compound: N'-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N,N-dimethylthiourea

4912-0328 Screening compound: N'-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N,N-dimethylthiourea
4912-0328 Screening compound: N'-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N,N-dimethylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4912-0328
N'-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N,N-dimethylthiourea

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

4912-0328

Molecular Formula

C7H14N2O2S2 (C7 H14 N2 O2 S2)

Compound Name

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

IUPAC name

1-(11-dioxo-1lambda6-thiolan-3-yl)-33-dimethylthiourea

SMILES

CN(C)C(NC(CC1)CS1(=O)=O)=S

InChI

InChI=1S/C7H14N2O2S2/c1-9(2)7(12)8-6-3-4-13(10,11)5-6/h6H,3-5H2,1-2H3,(H,8,12)/t6-/m1/s1

InChI Key

VCDYQSSSPKUFNE-ZCFIWIBFSA-N

MDL Number (MFCD)

MFCD00456595

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

222.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.431

Distribution Coefficient, logD

-0.431

Water Solubility, LogSw

-1.65

Polar Surface Area

39.974

Acid Dissociation Constant (pKa)

17.39

Base Dissociation Constant (pKb)

-1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

85.70

4912-0328 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4912-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4912-0328?
Check Price and Availability of 4912-0328, 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 4912-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4912-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4912-0328
  • 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 4912-0328 available by request