E682-0042 Screening compound: 2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

E682-0042 Screening compound: 2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
E682-0042 Screening compound: 2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E682-0042
2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)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

E682-0042

Molecular Formula

C19H18N4O4S2 (C19 H18 N4 O4 S2)

Compound Name

2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

IUPAC name

2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

SMILES

COc(cc1)ccc1NC(CSc(nc1)nc(N)c1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C19H18N4O4S2/c1-27-14-9-7-13(8-10-14)22-17(24)12-28-19-21-11-16(18(20)23-19)29(25,26)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,22,24)(H2,20,21,23)

InChI Key

DVRHQJGVUBMXOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.500

Distribution Coefficient, logD

2.500

Water Solubility, LogSw

-2.88

Polar Surface Area

98.672

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

E682-0042 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

NOTUM (Wnt signaling) Library (3881 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 E682-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E682-0042?
Check Price and Availability of E682-0042, 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 E682-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E682-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E682-0042
  • 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 E682-0042 available by request