D011-5575 Screening compound: 2-(2-bromophenyl)-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole

D011-5575 Screening compound: 2-(2-bromophenyl)-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole
D011-5575 Screening compound: 2-(2-bromophenyl)-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D011-5575
2-(2-bromophenyl)-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole

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

D011-5575

Molecular Formula

C16H11BrN2 (C16 H11 BrN2)

Compound Name

2-(2-bromophenyl)-1-(prop-2-yn-1-yl)-1H-1,3-benzodiazole

IUPAC name

2-(2-bromophenyl)-1-(prop-2-yn-1-yl)-1H-13-benzodiazole

SMILES

C#CCn1c(-c(cccc2)c2Br)nc2c1cccc2

InChI

InChI=1S/C16H11BrN2/c1-2-11-19-15-10-6-5-9-14(15)18-16(19)12-7-3-4-8-13(12)17/h1,3-10H,11H2

InChI Key

WDKQPYQHDZRJCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06633205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.18

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.426

Distribution Coefficient, logD

4.423

Water Solubility, LogSw

-4.70

Polar Surface Area

10.145

Acid Dissociation Constant (pKa)

21.09

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D011-5575 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D011-5575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D011-5575?
Check Price and Availability of D011-5575, 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 D011-5575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D011-5575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D011-5575
  • 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 D011-5575 available by request