V006-0245 Screening compound: ethyl 6-(2-methylbutan-2-yl)-2-[2-(thiophen-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

V006-0245 Screening compound: ethyl 6-(2-methylbutan-2-yl)-2-[2-(thiophen-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
V006-0245 Screening compound: ethyl 6-(2-methylbutan-2-yl)-2-[2-(thiophen-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0245
ethyl 6-(2-methylbutan-2-yl)-2-[2-(thiophen-2-yl)acetamido]-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

V006-0245

Molecular Formula

C22H29NO3S2 (C22 H29 NO3 S2)

Compound Name

ethyl 6-(2-methylbutan-2-yl)-2-[2-(thiophen-2-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 6-(2-methylbutan-2-yl)-2-[2-(thiophen-2-yl)acetamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCC(C)(C)C(CC1)Cc2c1c(C(OCC)=O)c(NC(Cc1cccs1)=O)s2

InChI

InChI=1S/C22H29NO3S2/c1-5-22(3,4)14-9-10-16-17(12-14)28-20(19(16)21(25)26-6-2)23-18(24)13-15-8-7-11-27-15/h7-8,11,14H,5-6,9-10,12-13H2,1-4H3,(H,23,24)/t14-/m1/s1

InChI Key

OQDCPHIFDQUDLH-CQSZACIVSA-N

MDL Number (MFCD)

MFCD19957429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.991

Distribution Coefficient, logD

2.628

Water Solubility, LogSw

-4.71

Polar Surface Area

44.603

Acid Dissociation Constant (pKa)

5.04

Base Dissociation Constant (pKb)

-4.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.50

V006-0245 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • GPCR
  • Phosphatases
Mechanism of action:
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V006-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0245?
Check Price and Availability of V006-0245, 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 V006-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0245
  • 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 V006-0245 available by request