Y070-1426 Screening compound: N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide

Y070-1426 Screening compound: N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide
Y070-1426 Screening compound: N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-1426
N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide

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

Y070-1426

Molecular Formula

C21H24N2O5S (C21 H24 N2 O5 S)

Compound Name

N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2,3-dihydro-1,4-benzodioxine-2-carboxamide

IUPAC name

N-{3-[(2-methoxyethyl)carbamoyl]-4567-tetrahydro-1-benzothiophen-2-yl}-23-dihydro-14-benzodioxine-2-carboxamide

SMILES

COCCNC(c1c(NC(C2Oc(cccc3)c3OC2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C21H24N2O5S/c1-26-11-10-22-20(25)18-13-6-2-5-9-17(13)29-21(18)23-19(24)16-12-27-14-7-3-4-8-15(14)28-16/h3-4,7-8,16H,2,5-6,9-12H2,1H3,(H,22,25)(H,23,24)/t16-/m0/s1

InChI Key

HZLUQICYNZZEKL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02978229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.046

Distribution Coefficient, logD

1.595

Water Solubility, LogSw

-3.57

Polar Surface Area

71.350

Acid Dissociation Constant (pKa)

5.96

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

Y070-1426 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y070-1426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-1426?
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What is the minimum amount of Y070-1426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-1426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-1426
  • 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 Y070-1426 available by request