Y030-8130 Screening compound: ethyl 3-(3-chloro-1-benzothiophene-2-amido)benzoate

Y030-8130 Screening compound: ethyl 3-(3-chloro-1-benzothiophene-2-amido)benzoate
Y030-8130 Screening compound: ethyl 3-(3-chloro-1-benzothiophene-2-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8130
ethyl 3-(3-chloro-1-benzothiophene-2-amido)benzoate

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

Y030-8130

Molecular Formula

C18H14ClNO3S (C18 H14 ClNO3 S)

Compound Name

ethyl 3-(3-chloro-1-benzothiophene-2-amido)benzoate

IUPAC name

ethyl 3-(3-chloro-1-benzothiophene-2-amido)benzoate

SMILES

CCOC(c1cccc(NC(c(sc2c3cccc2)c3Cl)=O)c1)=O

InChI

InChI=1S/C18H14ClNO3S/c1-2-23-18(22)11-6-5-7-12(10-11)20-17(21)16-15(19)13-8-3-4-9-14(13)24-16/h3-10H,2H2,1H3,(H,20,21)

InChI Key

RLDSFIQOGNXNSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03638848

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.83

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.454

Distribution Coefficient, logD

5.453

Water Solubility, LogSw

-6.06

Polar Surface Area

44.830

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

-1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

Y030-8130 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y030-8130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8130?
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What is the minimum amount of Y030-8130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8130
  • 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 Y030-8130 available by request