D430-2253 Screening compound: 1-(4-fluorophenyl)-3-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea

D430-2253 Screening compound: 1-(4-fluorophenyl)-3-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea
D430-2253 Screening compound: 1-(4-fluorophenyl)-3-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D430-2253
1-(4-fluorophenyl)-3-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea

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

D430-2253

Molecular Formula

C25H23FN6O (C25 H23 FN6 O)

Compound Name

1-(4-fluorophenyl)-3-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea

IUPAC name

1-(4-fluorophenyl)-3-[4-({2-methyl-6-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]urea

SMILES

Cc(cc1)ccc1Nc1cc(Nc(cc2)ccc2NC(Nc(cc2)ccc2F)=O)nc(C)n1

InChI

InChI=1S/C25H23FN6O/c1-16-3-7-19(8-4-16)29-23-15-24(28-17(2)27-23)30-20-11-13-22(14-12-20)32-25(33)31-21-9-5-18(26)6-10-21/h3-15H,1-2H3,(H2,31,32,33)(H2,27,28,29,30)

InChI Key

NLJOJKDJOVTCFZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27585615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.345

Distribution Coefficient, logD

5.566

Water Solubility, LogSw

-5.48

Polar Surface Area

69.685

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

8.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

D430-2253 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with D430-2253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D430-2253?
Check Price and Availability of D430-2253, 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 D430-2253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D430-2253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D430-2253
  • 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 D430-2253 available by request