3365-7859 Screening compound: 4-(4-chloro-2-methylphenoxy)-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]butanamide

3365-7859 Screening compound: 4-(4-chloro-2-methylphenoxy)-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]butanamide
3365-7859 Screening compound: 4-(4-chloro-2-methylphenoxy)-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3365-7859
4-(4-chloro-2-methylphenoxy)-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]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

3365-7859

Molecular Formula

C25H31ClN2O2S (C25 H31 ClN2 O2 S)

Compound Name

4-(4-chloro-2-methylphenoxy)-N-[3-cyano-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]butanamide

IUPAC name

4-(4-chloro-2-methylphenoxy)-N-[3-cyano-6-(2-methylbutan-2-yl)-4567-tetrahydro-1-benzothiophen-2-yl]butanamide

SMILES

CCC(C)(C)C(CC1)Cc2c1c(C#N)c(NC(CCCOc(cc1)c(C)cc1Cl)=O)s2

InChI

InChI=1S/C25H31ClN2O2S/c1-5-25(3,4)17-8-10-19-20(15-27)24(31-22(19)14-17)28-23(29)7-6-12-30-21-11-9-18(26)13-16(21)2/h9,11,13,17H,5-8,10,12,14H2,1-4H3,(H,28,29)/t17-/m1/s1

InChI Key

ZTHZGYDHQBQTSG-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD01354224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.05

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.826

Distribution Coefficient, logD

5.513

Water Solubility, LogSw

-6.45

Polar Surface Area

47.392

Acid Dissociation Constant (pKa)

6.11

Base Dissociation Constant (pKb)

-4.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.00

3365-7859 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3365-7859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3365-7859?
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What is the minimum amount of 3365-7859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3365-7859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3365-7859
  • 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 3365-7859 available by request