4934-0061 Screening compound: N-[(E)-[(3,4-dimethoxyphenyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2-methylpropanamide

4934-0061 Screening compound: N-[(E)-[(3,4-dimethoxyphenyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2-methylpropanamide
4934-0061 Screening compound: N-[(E)-[(3,4-dimethoxyphenyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4934-0061
N-[(E)-[(3,4-dimethoxyphenyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2-methylpropanamide

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

4934-0061

Molecular Formula

C19H25N5O3 (C19 H25 N5 O3)

Compound Name

N-[(E)-[(3,4-dimethoxyphenyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2-methylpropanamide

IUPAC name

N-[(E)-[(34-dimethoxyphenyl)amino][(46-dimethylpyrimidin-2-yl)amino]methylidene]-2-methylpropanamide

SMILES

CC(C)C(/N=C(\Nc(cc1)cc(OC)c1OC)/Nc1nc(C)cc(C)n1)=O

InChI

InChI=1S/C19H25N5O3/c1-11(2)17(25)23-19(24-18-20-12(3)9-13(4)21-18)22-14-7-8-15(26-5)16(10-14)27-6/h7-11H,1-6H3,(H2,20,21,22,23,24,25)

InChI Key

FACIUVUZXNRCCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03225373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.530

Distribution Coefficient, logD

2.213

Water Solubility, LogSw

-3.03

Polar Surface Area

75.380

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

4934-0061 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4934-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4934-0061?
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What is the minimum amount of 4934-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4934-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4934-0061
  • 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 4934-0061 available by request