E682-0163 Screening compound: 2-{[4-amino-5-(4-methylbenzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide

E682-0163 Screening compound: 2-{[4-amino-5-(4-methylbenzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide
E682-0163 Screening compound: 2-{[4-amino-5-(4-methylbenzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E682-0163
2-{[4-amino-5-(4-methylbenzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide

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

E682-0163

Molecular Formula

C21H22N4O3S2 (C21 H22 N4 O3 S2)

Compound Name

2-{[4-amino-5-(4-methylbenzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(3,5-dimethylphenyl)acetamide

IUPAC name

2-{[4-amino-5-(4-methylbenzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(35-dimethylphenyl)acetamide

SMILES

Cc(cc1)ccc1S(c(cn1)c(N)nc1SCC(Nc1cc(C)cc(C)c1)=O)(=O)=O

InChI

InChI=1S/C21H22N4O3S2/c1-13-4-6-17(7-5-13)30(27,28)18-11-23-21(25-20(18)22)29-12-19(26)24-16-9-14(2)8-15(3)10-16/h4-11H,12H2,1-3H3,(H,24,26)(H2,22,23,25)

InChI Key

PCGROCJXATWPFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.819

Distribution Coefficient, logD

3.819

Water Solubility, LogSw

-3.89

Polar Surface Area

91.129

Acid Dissociation Constant (pKa)

13.19

Base Dissociation Constant (pKb)

1.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E682-0163 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

C-Met Library (15277 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E682-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E682-0163?
Check Price and Availability of E682-0163, 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 E682-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E682-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E682-0163
  • 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 E682-0163 available by request