4912-0878 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N-methyl-N'-(3-methyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)thiourea

4912-0878 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N-methyl-N'-(3-methyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)thiourea
4912-0878 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N-methyl-N'-(3-methyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4912-0878
N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N-methyl-N'-(3-methyl-1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)thiourea

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

4912-0878

Molecular Formula

C11H20N2O4S3 (C11 H20 N2 O4 S3)

Compound Name

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

IUPAC name

1-(11-dioxo-1lambda6-thiolan-3-yl)-1-methyl-3-(3-methyl-11-dioxo-1lambda6-thiolan-3-yl)thiourea

SMILES

CC(CC1)(CS1(=O)=O)NC(N(C)C(CC1)CS1(=O)=O)=S

InChI

InChI=1S/C11H20N2O4S3/c1-11(4-6-20(16,17)8-11)12-10(18)13(2)9-3-5-19(14,15)7-9/h9H,3-8H2,1-2H3,(H,12,18)

InChI Key

UOFZPCYYVNZEII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03038677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.940

Distribution Coefficient, logD

-0.940

Water Solubility, LogSw

-1.64

Polar Surface Area

67.462

Acid Dissociation Constant (pKa)

18.02

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

90.90

4912-0878 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4912-0878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4912-0878?
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What is the minimum amount of 4912-0878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4912-0878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4912-0878
  • 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 4912-0878 available by request