E682-0029 Screening compound: 2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide

E682-0029 Screening compound: 2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
E682-0029 Screening compound: 2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E682-0029
2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)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

E682-0029

Molecular Formula

C20H20N4O5S2 (C20 H20 N4 O5 S2)

Compound Name

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

IUPAC name

2-{[4-amino-5-(benzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(24-dimethoxyphenyl)acetamide

SMILES

COc(cc1)cc(OC)c1NC(CSc(nc1)nc(N)c1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C20H20N4O5S2/c1-28-13-8-9-15(16(10-13)29-2)23-18(25)12-30-20-22-11-17(19(21)24-20)31(26,27)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,23,25)(H2,21,22,24)

InChI Key

MSRNXMUFHNXDCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745369

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.263

Distribution Coefficient, logD

2.263

Water Solubility, LogSw

-3.01

Polar Surface Area

105.605

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

E682-0029 in Drug Discovery

Included in Screening Libraries

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 E682-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E682-0029?
Check Price and Availability of E682-0029, 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 E682-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E682-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E682-0029
  • 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 E682-0029 available by request