E682-0063 Screening compound: 2-({4-amino-5-[4-(propan-2-yl)benzenesulfonyl]pyrimidin-2-yl}sulfanyl)-N-(4-ethylphenyl)butanamide

E682-0063 Screening compound: 2-({4-amino-5-[4-(propan-2-yl)benzenesulfonyl]pyrimidin-2-yl}sulfanyl)-N-(4-ethylphenyl)butanamide
E682-0063 Screening compound: 2-({4-amino-5-[4-(propan-2-yl)benzenesulfonyl]pyrimidin-2-yl}sulfanyl)-N-(4-ethylphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E682-0063
2-({4-amino-5-[4-(propan-2-yl)benzenesulfonyl]pyrimidin-2-yl}sulfanyl)-N-(4-ethylphenyl)butanamide

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

E682-0063

Molecular Formula

C25H30N4O3S2 (C25 H30 N4 O3 S2)

Compound Name

2-({4-amino-5-[4-(propan-2-yl)benzenesulfonyl]pyrimidin-2-yl}sulfanyl)-N-(4-ethylphenyl)butanamide

IUPAC name

2-({4-amino-5-[4-(propan-2-yl)benzenesulfonyl]pyrimidin-2-yl}sulfanyl)-N-(4-ethylphenyl)butanamide

SMILES

CCC(C(Nc1ccc(CC)cc1)=O)Sc(nc1)nc(N)c1S(c1ccc(C(C)C)cc1)(=O)=O

InChI

InChI=1S/C25H30N4O3S2/c1-5-17-7-11-19(12-8-17)28-24(30)21(6-2)33-25-27-15-22(23(26)29-25)34(31,32)20-13-9-18(10-14-20)16(3)4/h7-16,21H,5-6H2,1-4H3,(H,28,30)(H2,26,27,29)/t21-/m0/s1

InChI Key

MNSDOEIPRFIYRU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD06745397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.921

Distribution Coefficient, logD

5.921

Water Solubility, LogSw

-5.41

Polar Surface Area

91.342

Acid Dissociation Constant (pKa)

12.26

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

E682-0063 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E682-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E682-0063?
Check Price and Availability of E682-0063, 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 E682-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E682-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E682-0063
  • 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 E682-0063 available by request