3260-0136 Screening compound: 2-{2-[(3-hydroxypropyl)amino]-1H-1,3-benzodiazol-1-yl}-1-(thiophen-2-yl)ethan-1-one

3260-0136 Screening compound: 2-{2-[(3-hydroxypropyl)amino]-1H-1,3-benzodiazol-1-yl}-1-(thiophen-2-yl)ethan-1-one
3260-0136 Screening compound: 2-{2-[(3-hydroxypropyl)amino]-1H-1,3-benzodiazol-1-yl}-1-(thiophen-2-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3260-0136
2-{2-[(3-hydroxypropyl)amino]-1H-1,3-benzodiazol-1-yl}-1-(thiophen-2-yl)ethan-1-one

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

3260-0136

Molecular Formula

C16H17N3O2S (C16 H17 N3 O2 S)

Compound Name

2-{2-[(3-hydroxypropyl)amino]-1H-1,3-benzodiazol-1-yl}-1-(thiophen-2-yl)ethan-1-one

IUPAC name

2-{2-[(3-hydroxypropyl)amino]-1H-13-benzodiazol-1-yl}-1-(thiophen-2-yl)ethan-1-one

SMILES

OCCCNc1nc(cccc2)c2n1CC(c1cccs1)=O

InChI

InChI=1S/C16H17N3O2S/c20-9-4-8-17-16-18-12-5-1-2-6-13(12)19(16)11-14(21)15-7-3-10-22-15/h1-3,5-7,10,20H,4,8-9,11H2,(H,17,18)

InChI Key

UIYDTFPGWFNLBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01136059

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

315.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.307

Distribution Coefficient, logD

2.305

Water Solubility, LogSw

-2.66

Polar Surface Area

53.343

Acid Dissociation Constant (pKa)

14.66

Base Dissociation Constant (pKb)

4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3260-0136 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3260-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3260-0136?
Check Price and Availability of 3260-0136, 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 3260-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3260-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3260-0136
  • 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 3260-0136 available by request