0564-0101 Screening compound: 2-(2-nitrophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine

0564-0101 Screening compound: 2-(2-nitrophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
0564-0101 Screening compound: 2-(2-nitrophenyl)-4-phenyl-2,3-dihydro-1H-1,5-benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0564-0101
2-(2-nitrophenyl)-4-phenyl-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

0564-0101

Molecular Formula

C21H17N3O2 (C21 H17 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c1c(C(C2)Nc(cccc3)c3N=C2c2ccccc2)cccc1)=O

InChI

InChI=1S/C21H17N3O2/c25-24(26)21-13-7-4-10-16(21)20-14-19(15-8-2-1-3-9-15)22-17-11-5-6-12-18(17)23-20/h1-13,20,23H,14H2/t20-/m0/s1

InChI Key

ZVIQCJUYFVFVOY-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD00369137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.522

Distribution Coefficient, logD

4.522

Water Solubility, LogSw

-4.50

Polar Surface Area

53.928

Acid Dissociation Constant (pKa)

18.81

Base Dissociation Constant (pKb)

1.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

0564-0101 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 0564-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0564-0101?
Check Price and Availability of 0564-0101, 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 0564-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0564-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0564-0101
  • 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 0564-0101 available by request