D444-0766 Screening compound: N-(3-{[(4,6-dimethylpyrimidin-2-yl)amino](4-ethoxyphenyl)methyl}-5-methylthiophen-2-yl)benzamide

D444-0766 Screening compound: N-(3-{[(4,6-dimethylpyrimidin-2-yl)amino](4-ethoxyphenyl)methyl}-5-methylthiophen-2-yl)benzamide
D444-0766 Screening compound: N-(3-{[(4,6-dimethylpyrimidin-2-yl)amino](4-ethoxyphenyl)methyl}-5-methylthiophen-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D444-0766
N-(3-{[(4,6-dimethylpyrimidin-2-yl)amino](4-ethoxyphenyl)methyl}-5-methylthiophen-2-yl)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

D444-0766

Molecular Formula

C27H28N4O2S (C27 H28 N4 O2 S)

Compound Name

N-(3-{[(4,6-dimethylpyrimidin-2-yl)amino](4-ethoxyphenyl)methyl}-5-methylthiophen-2-yl)benzamide

IUPAC name

N-(3-{[(46-dimethylpyrimidin-2-yl)amino](4-ethoxyphenyl)methyl}-5-methylthiophen-2-yl)benzamide

SMILES

CCOc1ccc(C(c2c(NC(c3ccccc3)=O)sc(C)c2)Nc2nc(C)cc(C)n2)cc1

InChI

InChI=1S/C27H28N4O2S/c1-5-33-22-13-11-20(12-14-22)24(30-27-28-17(2)15-18(3)29-27)23-16-19(4)34-26(23)31-25(32)21-9-7-6-8-10-21/h6-16,24H,5H2,1-4H3,(H,31,32)(H,28,29,30)/t24-/m1/s1

InChI Key

GLZRYSSZLFXTPA-XMMPIXPASA-N

MDL Number (MFCD)

MFCD27586677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.405

Distribution Coefficient, logD

5.402

Water Solubility, LogSw

-5.37

Polar Surface Area

58.881

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

4.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

D444-0766 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D444-0766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D444-0766?
Check Price and Availability of D444-0766, 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 D444-0766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D444-0766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D444-0766
  • 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 D444-0766 available by request