Y030-8145 Screening compound: 3-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide

Y030-8145 Screening compound: 3-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide
Y030-8145 Screening compound: 3-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8145
3-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzothiophene-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

Y030-8145

Molecular Formula

C16H13ClN2OS2 (C16 H13 ClN2 OS2)

Compound Name

3-chloro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-(4567-tetrahydro-13-benzothiazol-2-yl)-1-benzothiophene-2-carboxamide

SMILES

O=C(c(sc1c2cccc1)c2Cl)Nc1nc(CCCC2)c2s1

InChI

InChI=1S/C16H13ClN2OS2/c17-13-9-5-1-3-7-11(9)21-14(13)15(20)19-16-18-10-6-2-4-8-12(10)22-16/h1,3,5,7H,2,4,6,8H2,(H,18,19,20)

InChI Key

DLBQJMYRDIHJQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03638867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.88

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.430

Distribution Coefficient, logD

4.378

Water Solubility, LogSw

-5.83

Polar Surface Area

35.544

Acid Dissociation Constant (pKa)

6.39

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y030-8145 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y030-8145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8145?
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What is the minimum amount of Y030-8145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8145
  • 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 Y030-8145 available by request