E682-0175 Screening compound: 2-{[4-amino-5-(4-methylbenzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-benzylacetamide

E682-0175 Screening compound: 2-{[4-amino-5-(4-methylbenzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-benzylacetamide
E682-0175 Screening compound: 2-{[4-amino-5-(4-methylbenzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-benzylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E682-0175
2-{[4-amino-5-(4-methylbenzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-benzylacetamide

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

E682-0175

Molecular Formula

C20H20N4O3S2 (C20 H20 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1S(c(cn1)c(N)nc1SCC(NCc1ccccc1)=O)(=O)=O

InChI

InChI=1S/C20H20N4O3S2/c1-14-7-9-16(10-8-14)29(26,27)17-12-23-20(24-19(17)21)28-13-18(25)22-11-15-5-3-2-4-6-15/h2-10,12H,11,13H2,1H3,(H,22,25)(H2,21,23,24)

InChI Key

DEEPAERECWVYGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.808

Distribution Coefficient, logD

2.808

Water Solubility, LogSw

-3.31

Polar Surface Area

92.451

Acid Dissociation Constant (pKa)

13.31

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E682-0175 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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 E682-0175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E682-0175?
Check Price and Availability of E682-0175, 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 E682-0175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E682-0175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E682-0175
  • 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 E682-0175 available by request