Y070-0467 Screening compound: methyl 2-(3,4-dichloro-1-benzothiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Y070-0467 Screening compound: methyl 2-(3,4-dichloro-1-benzothiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Y070-0467 Screening compound: methyl 2-(3,4-dichloro-1-benzothiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0467
methyl 2-(3,4-dichloro-1-benzothiophene-2-amido)-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

Y070-0467

Molecular Formula

C19H15Cl2NO3S2 (C19 H15 Cl2 NO3 S2)

Compound Name

methyl 2-(3,4-dichloro-1-benzothiophene-2-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-(34-dichloro-1-benzothiophene-2-amido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

COC(c1c(NC(c(sc2cccc(Cl)c22)c2Cl)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C19H15Cl2NO3S2/c1-25-19(24)13-9-5-2-3-7-11(9)27-18(13)22-17(23)16-15(21)14-10(20)6-4-8-12(14)26-16/h4,6,8H,2-3,5,7H2,1H3,(H,22,23)

InChI Key

DNTHLPCXLMWAGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03463010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.073

Distribution Coefficient, logD

1.262

Water Solubility, LogSw

-6.39

Polar Surface Area

44.965

Acid Dissociation Constant (pKa)

2.59

Base Dissociation Constant (pKb)

-4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with Y070-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0467?
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What is the minimum amount of Y070-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0467
  • 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 Y070-0467 available by request