3360-7950 Screening compound: methyl 6-(2-methylbutan-2-yl)-2-[4-(2-methylpropoxy)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3360-7950 Screening compound: methyl 6-(2-methylbutan-2-yl)-2-[4-(2-methylpropoxy)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3360-7950 Screening compound: methyl 6-(2-methylbutan-2-yl)-2-[4-(2-methylpropoxy)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3360-7950
methyl 6-(2-methylbutan-2-yl)-2-[4-(2-methylpropoxy)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

3360-7950

Molecular Formula

C26H35NO4S (C26 H35 NO4 S)

Compound Name

methyl 6-(2-methylbutan-2-yl)-2-[4-(2-methylpropoxy)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 6-(2-methylbutan-2-yl)-2-[4-(2-methylpropoxy)benzamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCC(C)(C)C(CC1)Cc2c1c(C(OC)=O)c(NC(c(cc1)ccc1OCC(C)C)=O)s2

InChI

InChI=1S/C26H35NO4S/c1-7-26(4,5)18-10-13-20-21(14-18)32-24(22(20)25(29)30-6)27-23(28)17-8-11-19(12-9-17)31-15-16(2)3/h8-9,11-12,16,18H,7,10,13-15H2,1-6H3,(H,27,28)/t18-/m1/s1

InChI Key

VEJSDGIUJHYQMS-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01922168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.505

Distribution Coefficient, logD

3.174

Water Solubility, LogSw

-5.82

Polar Surface Area

51.718

Acid Dissociation Constant (pKa)

4.07

Base Dissociation Constant (pKb)

-6.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

3360-7950 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3360-7950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3360-7950?
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What is the minimum amount of 3360-7950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3360-7950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3360-7950
  • 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 3360-7950 available by request