8007-6116 Screening compound: 2-{[(phenylcarbamoyl)methyl]sulfanyl}-N-(2,4,6-trimethylphenyl)propanamide

8007-6116 Screening compound: 2-{[(phenylcarbamoyl)methyl]sulfanyl}-N-(2,4,6-trimethylphenyl)propanamide
8007-6116 Screening compound: 2-{[(phenylcarbamoyl)methyl]sulfanyl}-N-(2,4,6-trimethylphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-6116
2-{[(phenylcarbamoyl)methyl]sulfanyl}-N-(2,4,6-trimethylphenyl)propanamide

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

8007-6116

Molecular Formula

C20H24N2O2S (C20 H24 N2 O2 S)

Compound Name

2-{[(phenylcarbamoyl)methyl]sulfanyl}-N-(2,4,6-trimethylphenyl)propanamide

IUPAC name

2-{[(phenylcarbamoyl)methyl]sulfanyl}-N-(246-trimethylphenyl)propanamide

SMILES

CC(C(Nc1c(C)cc(C)cc1C)=O)SCC(Nc1ccccc1)=O

InChI

InChI=1S/C20H24N2O2S/c1-13-10-14(2)19(15(3)11-13)22-20(24)16(4)25-12-18(23)21-17-8-6-5-7-9-17/h5-11,16H,12H2,1-4H3,(H,21,23)(H,22,24)/t16-/m0/s1

InChI Key

ZMJAPKSMVGGKSN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD00374468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.837

Distribution Coefficient, logD

3.837

Water Solubility, LogSw

-3.85

Polar Surface Area

45.083

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

8007-6116 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8007-6116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-6116?
Check Price and Availability of 8007-6116, 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 8007-6116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-6116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-6116
  • 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 8007-6116 available by request