Y010-1287 Screening compound: N,N'-bis(1,3-benzothiazol-2-yl)-2-benzylbutanediamide

Y010-1287 Screening compound: N,N'-bis(1,3-benzothiazol-2-yl)-2-benzylbutanediamide
Y010-1287 Screening compound: N,N'-bis(1,3-benzothiazol-2-yl)-2-benzylbutanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1287
N,N'-bis(1,3-benzothiazol-2-yl)-2-benzylbutanediamide

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

Y010-1287

Molecular Formula

C25H20N4O2S2 (C25 H20 N4 O2 S2)

Compound Name

N,N'-bis(1,3-benzothiazol-2-yl)-2-benzylbutanediamide

IUPAC name

NN'-bis(13-benzothiazol-2-yl)-2-benzylbutanediamide

SMILES

O=C(CC(Cc1ccccc1)C(Nc1nc(cccc2)c2s1)=O)Nc1nc(cccc2)c2s1

InChI

InChI=1S/C25H20N4O2S2/c30-22(28-24-26-18-10-4-6-12-20(18)32-24)15-17(14-16-8-2-1-3-9-16)23(31)29-25-27-19-11-5-7-13-21(19)33-25/h1-13,17H,14-15H2,(H,26,28,30)(H,27,29,31)/t17-/m1/s1

InChI Key

ACMUJGIUVWHFTI-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD05856091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.245

Distribution Coefficient, logD

6.243

Water Solubility, LogSw

-5.86

Polar Surface Area

65.730

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

3.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

Y010-1287 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Angiogenesis library (14822 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y010-1287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1287?
Check Price and Availability of Y010-1287, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y010-1287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1287
  • 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 Y010-1287 available by request