D011-6133 Screening compound: 2-(1H-1,3-benzodiazol-1-yl)-1-(4-chlorophenyl)ethan-1-one

D011-6133 Screening compound: 2-(1H-1,3-benzodiazol-1-yl)-1-(4-chlorophenyl)ethan-1-one
D011-6133 Screening compound: 2-(1H-1,3-benzodiazol-1-yl)-1-(4-chlorophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-6133
2-(1H-1,3-benzodiazol-1-yl)-1-(4-chlorophenyl)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

D011-6133

Molecular Formula

C15H11ClN2O (C15 H11 ClN2 O)

Compound Name

2-(1H-1,3-benzodiazol-1-yl)-1-(4-chlorophenyl)ethan-1-one

IUPAC name

2-(1H-13-benzodiazol-1-yl)-1-(4-chlorophenyl)ethan-1-one

SMILES

O=C(Cn1c(cccc2)c2nc1)c(cc1)ccc1Cl

InChI

InChI=1S/C15H11ClN2O/c16-12-7-5-11(6-8-12)15(19)9-18-10-17-13-3-1-2-4-14(13)18/h1-8,10H,9H2

InChI Key

JSFVJYUMLBGVLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06635375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

270.72

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.917

Distribution Coefficient, logD

2.916

Water Solubility, LogSw

-3.47

Polar Surface Area

23.670

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D011-6133 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

CNS targets activity set (6557 compounds)

STING Agonist Library (5895 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Agro:
  • Agro
  • Agro
Targets:
  • Others
  • Proteases

References: we are preparing a list of scientific research reports with D011-6133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-6133?
Check Price and Availability of D011-6133, 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 D011-6133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-6133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-6133
  • 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 D011-6133 available by request