4912-0659 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)tetrahydro-1(2H)-pyridinecarbothioamide

4912-0659 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)tetrahydro-1(2H)-pyridinecarbothioamide
4912-0659 Screening compound: N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)tetrahydro-1(2H)-pyridinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4912-0659
N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)tetrahydro-1(2H)-pyridinecarbothioamide

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

4912-0659

Molecular Formula

C10H18N2O2S2 (C10 H18 N2 O2 S2)

Compound Name

N~1~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)tetrahydro-1(2H)-pyridinecarbothioamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)piperidine-1-carbothioamide

SMILES

O=S(CC1)(CC1NC(N1CCCCC1)=S)=O

InChI

InChI=1S/C10H18N2O2S2/c13-16(14)7-4-9(8-16)11-10(15)12-5-2-1-3-6-12/h9H,1-8H2,(H,11,15)/t9-/m1/s1

InChI Key

NBQGTGFVYJUKCR-SECBINFHSA-N

MDL Number (MFCD)

MFCD03038569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.4

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

0.749

Distribution Coefficient, logD

0.749

Water Solubility, LogSw

-1.83

Polar Surface Area

40.621

Acid Dissociation Constant (pKa)

18.29

Base Dissociation Constant (pKb)

-0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

90.00

4912-0659 in Drug Discovery

Included in Screening Libraries

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

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 4912-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4912-0659?
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What is the minimum amount of 4912-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4912-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4912-0659
  • 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 4912-0659 available by request