D078-0129 Screening compound: 1-(4-methylbenzoyl)-1H-1,3-benzodiazole

D078-0129 Screening compound: 1-(4-methylbenzoyl)-1H-1,3-benzodiazole
D078-0129 Screening compound: 1-(4-methylbenzoyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D078-0129
1-(4-methylbenzoyl)-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

D078-0129

Molecular Formula

C15H12N2O (C15 H12 N2 O)

Compound Name

1-(4-methylbenzoyl)-1H-1,3-benzodiazole

IUPAC name

1-(4-methylbenzoyl)-1H-13-benzodiazole

SMILES

Cc(cc1)ccc1C(n1c(cccc2)c2nc1)=O

InChI

InChI=1S/C15H12N2O/c1-11-6-8-12(9-7-11)15(18)17-10-16-13-4-2-3-5-14(13)17/h2-10H,1H3

InChI Key

YLZMOQYZJDTTSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00442441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.813

Distribution Coefficient, logD

2.813

Water Solubility, LogSw

-2.93

Polar Surface Area

24.078

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

2.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

D078-0129 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D078-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D078-0129?
Check Price and Availability of D078-0129, 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 D078-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D078-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D078-0129
  • 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 D078-0129 available by request