2950-0571 Screening compound: 2-[2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-1,3-benzimidazol-1-yl]-1-(4-nitrophenyl)-1-ethanone

2950-0571 Screening compound: 2-[2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-1,3-benzimidazol-1-yl]-1-(4-nitrophenyl)-1-ethanone
2950-0571 Screening compound: 2-[2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-1,3-benzimidazol-1-yl]-1-(4-nitrophenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 2950-0571
2-[2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-1,3-benzimidazol-1-yl]-1-(4-nitrophenyl)-1-ethanone

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

2950-0571

Molecular Formula

C23H20N4O3 (C23 H20 N4 O3)

Compound Name

2-[2-imino-3-(4-methylbenzyl)-2,3-dihydro-1H-1,3-benzimidazol-1-yl]-1-(4-nitrophenyl)-1-ethanone

IUPAC name

n/a

SMILES

Cc1ccc(CN(c(cccc2)c2N2CC(c(cc3)ccc3[N+]([O-])=O)=O)C2=N)cc1

InChI

InChI=1S/C23H20N4O3/c1-16-6-8-17(9-7-16)14-25-20-4-2-3-5-21(20)26(23(25)24)15-22(28)18-10-12-19(13-11-18)27(29)30/h2-13,24H,14-15H2,1H3

InChI Key

ZZTYBZRUUOWNJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01858281

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

400.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.559

Distribution Coefficient, logD

3.437

Water Solubility, LogSw

-4.36

Polar Surface Area

68.211

Acid Dissociation Constant (pKa)

21.84

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

2950-0571 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2950-0571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2950-0571?
Check Price and Availability of 2950-0571, 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 2950-0571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2950-0571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2950-0571
  • 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 2950-0571 available by request