D576-0266 Screening compound: 4-fluoro-N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide

D576-0266 Screening compound: 4-fluoro-N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide
D576-0266 Screening compound: 4-fluoro-N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D576-0266
4-fluoro-N-[4-({6-methyl-2-[(4-methylphenyl)amino]pyrimidin-4-yl}amino)phenyl]benzamide

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

D576-0266

Molecular Formula

C25H22FN5O (C25 H22 FN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1Nc1nc(C)cc(Nc(cc2)ccc2NC(c(cc2)ccc2F)=O)n1

InChI

InChI=1S/C25H22FN5O/c1-16-3-9-22(10-4-16)30-25-27-17(2)15-23(31-25)28-20-11-13-21(14-12-20)29-24(32)18-5-7-19(26)8-6-18/h3-15H,1-2H3,(H,29,32)(H2,27,28,30,31)

InChI Key

WEJCSHZURVHLTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27593382

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.967

Distribution Coefficient, logD

5.117

Water Solubility, LogSw

-5.50

Polar Surface Area

61.233

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

8.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

D576-0266 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D576-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D576-0266?
Check Price and Availability of D576-0266, 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 D576-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D576-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D576-0266
  • 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 D576-0266 available by request