4912-0631 Screening compound: 3-[({[(1,1-dioxo-2,5-dihydro-1H-1lambda~6~-thiophen-3-yl)methyl]sulfanyl}carbothioyl)amino]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene

4912-0631 Screening compound: 3-[({[(1,1-dioxo-2,5-dihydro-1H-1lambda~6~-thiophen-3-yl)methyl]sulfanyl}carbothioyl)amino]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene
4912-0631 Screening compound: 3-[({[(1,1-dioxo-2,5-dihydro-1H-1lambda~6~-thiophen-3-yl)methyl]sulfanyl}carbothioyl)amino]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene alternative view

Chemical Structure Depiction of ChemDiv screening compound 4912-0631
3-[({[(1,1-dioxo-2,5-dihydro-1H-1lambda~6~-thiophen-3-yl)methyl]sulfanyl}carbothioyl)amino]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene

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

4912-0631

Molecular Formula

C10H15NO4S4 (C10 H15 NO4 S4)

Compound Name

3-[({[(1,1-dioxo-2,5-dihydro-1H-1lambda~6~-thiophen-3-yl)methyl]sulfanyl}carbothioyl)amino]-1,1-dioxotetrahydro-1H-1lambda~6~-thiophene

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl){[(11-dioxo-25-dihydro-1lambda6-thiophen-3-yl)methyl]sulfanyl}carbothioamide

SMILES

O=S(CC1)(CC1NC(SCC(C1)=CCS1(=O)=O)=S)=O

InChI

InChI=1S/C10H15NO4S4/c12-18(13)3-1-8(6-18)5-17-10(16)11-9-2-4-19(14,15)7-9/h1,9H,2-7H2,(H,11,16)/t9-/m0/s1

InChI Key

MMNRDPFBRPWSHY-VIFPVBQESA-N

MDL Number (MFCD)

MFCD00188332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

-0.131

Distribution Coefficient, logD

-0.131

Water Solubility, LogSw

-1.58

Polar Surface Area

67.387

Acid Dissociation Constant (pKa)

14.39

Base Dissociation Constant (pKb)

-1.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

4912-0631 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4912-0631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4912-0631?
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What is the minimum amount of 4912-0631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4912-0631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4912-0631
  • 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 4912-0631 available by request