2043-3194 Screening compound: 1-(2-methyl-3-nitrobenzoyl)-1H-1,3-benzodiazole

2043-3194 Screening compound: 1-(2-methyl-3-nitrobenzoyl)-1H-1,3-benzodiazole
2043-3194 Screening compound: 1-(2-methyl-3-nitrobenzoyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 2043-3194
1-(2-methyl-3-nitrobenzoyl)-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

2043-3194

Molecular Formula

C15H11N3O3 (C15 H11 N3 O3)

Compound Name

1-(2-methyl-3-nitrobenzoyl)-1H-1,3-benzodiazole

IUPAC name

1-(2-methyl-3-nitrobenzoyl)-1H-13-benzodiazole

SMILES

Cc(c(C(n1c(cccc2)c2nc1)=O)ccc1)c1[N+]([O-])=O

InChI

InChI=1S/C15H11N3O3/c1-10-11(5-4-8-13(10)18(20)21)15(19)17-9-16-12-6-2-3-7-14(12)17/h2-9H,1H3

InChI Key

VDYJQQDNEQYZRB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01213351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.690

Distribution Coefficient, logD

2.690

Water Solubility, LogSw

-3.33

Polar Surface Area

57.159

Acid Dissociation Constant (pKa)

26.22

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

2043-3194 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 2043-3194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2043-3194?
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What is the minimum amount of 2043-3194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2043-3194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2043-3194
  • 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 2043-3194 available by request