Y070-4510 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Y070-4510 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Y070-4510 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-4510
N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-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

Y070-4510

Molecular Formula

C23H27FN2O5S2 (C23 H27 FN2 O5 S2)

Compound Name

N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-2-{[2-(4-fluorophenoxy)propanoyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-2-[2-(4-fluorophenoxy)propanamido]-6-methyl-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(C(Nc1c(C(NC(CC2)CS2(=O)=O)=O)c(CCC(C)C2)c2s1)=O)Oc(cc1)ccc1F

InChI

InChI=1S/C23H27FN2O5S2/c1-13-3-8-18-19(11-13)32-23(20(18)22(28)25-16-9-10-33(29,30)12-16)26-21(27)14(2)31-17-6-4-15(24)5-7-17/h4-7,13-14,16H,3,8-12H2,1-2H3,(H,25,28)(H,26,27)

InChI Key

UKSMXHCDOPSMEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04191992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

2.052

Water Solubility, LogSw

-3.65

Polar Surface Area

82.409

Acid Dissociation Constant (pKa)

6.50

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

47.80

Y070-4510 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 Y070-4510 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-4510?
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What is the minimum amount of Y070-4510 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-4510
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-4510
  • 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 Y070-4510 available by request