E682-0104 Screening compound: 2-{[4-amino-5-(3,4-dimethylbenzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2-chloro-4-methylphenyl)acetamide

E682-0104 Screening compound: 2-{[4-amino-5-(3,4-dimethylbenzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2-chloro-4-methylphenyl)acetamide
E682-0104 Screening compound: 2-{[4-amino-5-(3,4-dimethylbenzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2-chloro-4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E682-0104
2-{[4-amino-5-(3,4-dimethylbenzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2-chloro-4-methylphenyl)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

E682-0104

Molecular Formula

C21H21ClN4O3S2 (C21 H21 ClN4 O3 S2)

Compound Name

2-{[4-amino-5-(3,4-dimethylbenzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2-chloro-4-methylphenyl)acetamide

IUPAC name

2-{[4-amino-5-(34-dimethylbenzenesulfonyl)pyrimidin-2-yl]sulfanyl}-N-(2-chloro-4-methylphenyl)acetamide

SMILES

Cc(cc1)cc(Cl)c1NC(CSc(nc1)nc(N)c1S(c1cc(C)c(C)cc1)(=O)=O)=O

InChI

InChI=1S/C21H21ClN4O3S2/c1-12-4-7-17(16(22)8-12)25-19(27)11-30-21-24-10-18(20(23)26-21)31(28,29)15-6-5-13(2)14(3)9-15/h4-10H,11H2,1-3H3,(H,25,27)(H2,23,24,26)

InChI Key

VTWIBKYIBHODNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745417

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.01

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

4.316

Distribution Coefficient, logD

4.316

Water Solubility, LogSw

-4.28

Polar Surface Area

90.431

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

E682-0104 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 E682-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E682-0104?
Check Price and Availability of E682-0104, 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 E682-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E682-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E682-0104
  • 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 E682-0104 available by request