6220-3662 Screening compound: [(4-acetylphenyl)carbamoyl]methyl pyrrolidine-1-carbodithioate

6220-3662 Screening compound: [(4-acetylphenyl)carbamoyl]methyl pyrrolidine-1-carbodithioate
6220-3662 Screening compound: [(4-acetylphenyl)carbamoyl]methyl pyrrolidine-1-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6220-3662
[(4-acetylphenyl)carbamoyl]methyl pyrrolidine-1-carbodithioate

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

6220-3662

Molecular Formula

C15H18N2O2S2 (C15 H18 N2 O2 S2)

Compound Name

[(4-acetylphenyl)carbamoyl]methyl pyrrolidine-1-carbodithioate

IUPAC name

[(4-acetylphenyl)carbamoyl]methyl pyrrolidine-1-carbodithioate

SMILES

CC(c(cc1)ccc1NC(CSC(N1CCCC1)=S)=O)=O

InChI

InChI=1S/C15H18N2O2S2/c1-11(18)12-4-6-13(7-5-12)16-14(19)10-21-15(20)17-8-2-3-9-17/h4-7H,2-3,8-10H2,1H3,(H,16,19)

InChI Key

KDTDBSRHGARCAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01055446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

2.567

Water Solubility, LogSw

-2.83

Polar Surface Area

40.401

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

6220-3662 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 6220-3662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6220-3662?
Check Price and Availability of 6220-3662, 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 6220-3662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6220-3662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6220-3662
  • 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 6220-3662 available by request