Y010-1689 Screening compound: 2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)-1-ethanone

Y010-1689 Screening compound: 2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)-1-ethanone
Y010-1689 Screening compound: 2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1689
2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)-1-ethanone

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

Y010-1689

Molecular Formula

C21H18N2O2S (C21 H18 N2 O2 S)

Compound Name

2-(1,3-benzothiazol-2-yloxy)-1-(1,2,3,4-tetrahydro-9H-carbazol-9-yl)-1-ethanone

IUPAC name

2-(13-benzothiazol-2-yloxy)-1-(2349-tetrahydro-1H-carbazol-9-yl)ethan-1-one

SMILES

O=C(COc1nc(cccc2)c2s1)n1c(cccc2)c2c2c1CCCC2

InChI

InChI=1S/C21H18N2O2S/c24-20(13-25-21-22-16-9-3-6-12-19(16)26-21)23-17-10-4-1-7-14(17)15-8-2-5-11-18(15)23/h1,3-4,6-7,9-10,12H,2,5,8,11,13H2

InChI Key

WFLAXGZTDDOYIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01171475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.813

Distribution Coefficient, logD

4.813

Water Solubility, LogSw

-5.06

Polar Surface Area

33.765

Acid Dissociation Constant (pKa)

14.97

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

Y010-1689 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y010-1689 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1689?
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What is the minimum amount of Y010-1689 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1689
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1689
  • 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 Y010-1689 available by request