2144-1005 Screening compound: 2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

2144-1005 Screening compound: 2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one
2144-1005 Screening compound: 2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2144-1005
2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

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

2144-1005

Molecular Formula

C26H24N2O3 (C26 H24 N2 O3)

Compound Name

2,2-dimethyl-5-(4-methyl-3-nitrophenyl)-1H,2H,3H,4H,5H,6H-benzo[a]phenanthridin-4-one

IUPAC name

22-dimethyl-5-(4-methyl-3-nitrophenyl)-1H2H3H4H5H6H-benzo[a]phenanthridin-4-one

SMILES

CC(C)(CC1=C2C(c3cc([N+]([O-])=O)c(C)cc3)Nc3c1c1ccccc1cc3)CC2=O

InChI

InChI=1S/C26H24N2O3/c1-15-8-9-17(12-21(15)28(30)31)25-24-19(13-26(2,3)14-22(24)29)23-18-7-5-4-6-16(18)10-11-20(23)27-25/h4-12,25,27H,13-14H2,1-3H3/t25-/m0/s1

InChI Key

UHSLBYVSVQRGIY-VWLOTQADSA-N

MDL Number (MFCD)

MFCD01052054

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.003

Distribution Coefficient, logD

6.003

Water Solubility, LogSw

-6.78

Polar Surface Area

58.012

Acid Dissociation Constant (pKa)

13.13

Base Dissociation Constant (pKb)

-4.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with 2144-1005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2144-1005?
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What is the minimum amount of 2144-1005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2144-1005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2144-1005
  • 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 2144-1005 available by request