4358-4599 Screening compound: N1,N1-dimethyl-N4-[2-(4-nitrophenyl)quinazolin-4-yl]benzene-1,4-diamine

4358-4599 Screening compound: N1,N1-dimethyl-N4-[2-(4-nitrophenyl)quinazolin-4-yl]benzene-1,4-diamine
4358-4599 Screening compound: N1,N1-dimethyl-N4-[2-(4-nitrophenyl)quinazolin-4-yl]benzene-1,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4358-4599
N1,N1-dimethyl-N4-[2-(4-nitrophenyl)quinazolin-4-yl]benzene-1,4-diamine

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

4358-4599

Molecular Formula

C22H19N5O2 (C22 H19 N5 O2)

Compound Name

N1,N1-dimethyl-N4-[2-(4-nitrophenyl)quinazolin-4-yl]benzene-1,4-diamine

IUPAC name

N1N1-dimethyl-N4-[2-(4-nitrophenyl)quinazolin-4-yl]benzene-14-diamine

SMILES

CN(C)c(cc1)ccc1Nc1nc(-c(cc2)ccc2[N+]([O-])=O)nc2ccccc12

InChI

InChI=1S/C22H19N5O2/c1-26(2)17-13-9-16(10-14-17)23-22-19-5-3-4-6-20(19)24-21(25-22)15-7-11-18(12-8-15)27(28)29/h3-14H,1-2H3,(H,23,24,25)

InChI Key

UIAXLBWYDRXONS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02369126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.036

Distribution Coefficient, logD

5.978

Water Solubility, LogSw

-6.05

Polar Surface Area

63.991

Acid Dissociation Constant (pKa)

19.11

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

4358-4599 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4358-4599 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4358-4599?
Check Price and Availability of 4358-4599, 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 4358-4599 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4358-4599
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4358-4599
  • 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 4358-4599 available by request