D430-0514 Screening compound: N-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]-4-nitrobenzamide

D430-0514 Screening compound: N-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]-4-nitrobenzamide
D430-0514 Screening compound: N-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]-4-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D430-0514
N-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]-4-nitrobenzamide

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

D430-0514

Molecular Formula

C25H22N6O3 (C25 H22 N6 O3)

Compound Name

N-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]-4-nitrobenzamide

IUPAC name

N-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]-4-nitrobenzamide

SMILES

Cc(cc1)ccc1Nc1cc(Nc(cc2)ccc2NC(c(cc2)ccc2[N+]([O-])=O)=O)nc(C)n1

InChI

InChI=1S/C25H22N6O3/c1-16-3-7-19(8-4-16)28-23-15-24(27-17(2)26-23)29-20-9-11-21(12-10-20)30-25(32)18-5-13-22(14-6-18)31(33)34/h3-15H,1-2H3,(H,30,32)(H2,26,27,28,29)

InChI Key

NMHXIYMLMLAEHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14828477

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.591

Distribution Coefficient, logD

4.812

Water Solubility, LogSw

-5.39

Polar Surface Area

93.854

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

D430-0514 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Autophagy-Targeted Library (4564 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with D430-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D430-0514?
Check Price and Availability of D430-0514, 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 D430-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D430-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D430-0514
  • 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 D430-0514 available by request