0133-0018 Screening compound: 2-(4-methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole

0133-0018 Screening compound: 2-(4-methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole
0133-0018 Screening compound: 2-(4-methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole alternative view

Chemical Structure Depiction of ChemDiv screening compound 0133-0018
2-(4-methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole

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

0133-0018

Molecular Formula

C13H13BN2 (C13 H13 BN2)

Compound Name

2-(4-methylphenyl)-2,3-dihydro-1H-1,3,2-benzodiazaborole

IUPAC name

2-(4-methylphenyl)-23-dihydro-1H-132-benzodiazaborole

SMILES

Cc1ccc(B2Nc(cccc3)c3N2)cc1

InChI

InChI=1S/C13H13BN2/c1-10-6-8-11(9-7-10)14-15-12-4-2-3-5-13(12)16-14/h2-9,15-16H,1H3

InChI Key

KUNFGCMJKMLSRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00845896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

208.07

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.724

Distribution Coefficient, logD

3.724

Water Solubility, LogSw

-3.85

Polar Surface Area

22.728

Acid Dissociation Constant (pKa)

20.27

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

0133-0018 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 0133-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0133-0018?
Check Price and Availability of 0133-0018, 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 0133-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0133-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0133-0018
  • 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 0133-0018 available by request