3454-0376 Screening compound: 4-(4-methoxyphenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine

3454-0376 Screening compound: 4-(4-methoxyphenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine
3454-0376 Screening compound: 4-(4-methoxyphenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3454-0376
4-(4-methoxyphenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine

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

3454-0376

Molecular Formula

C22H19N3O3 (C22 H19 N3 O3)

Compound Name

4-(4-methoxyphenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine

IUPAC name

4-(4-methoxyphenyl)-2-(4-nitrophenyl)-23-dihydro-1H-15-benzodiazepine

SMILES

COc(cc1)ccc1C(C1)=Nc(cccc2)c2NC1c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C22H19N3O3/c1-28-18-12-8-16(9-13-18)22-14-21(15-6-10-17(11-7-15)25(26)27)23-19-4-2-3-5-20(19)24-22/h2-13,21,23H,14H2,1H3/t21-/m0/s1

InChI Key

LIGNOTALFDLDHE-NRFANRHFSA-N

MDL Number (MFCD)

MFCD00357205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.797

Distribution Coefficient, logD

4.797

Water Solubility, LogSw

-4.56

Polar Surface Area

61.773

Acid Dissociation Constant (pKa)

18.04

Base Dissociation Constant (pKb)

1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

3454-0376 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3454-0376 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3454-0376?
Check Price and Availability of 3454-0376, 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 3454-0376 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3454-0376
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3454-0376
  • 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 3454-0376 available by request