5594-3172 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide

5594-3172 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide
5594-3172 Screening compound: (2E)-3-(3,4-dimethoxyphenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-3172
(2E)-3-(3,4-dimethoxyphenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide

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

5594-3172

Molecular Formula

C17H19N3O3 (C17 H19 N3 O3)

Compound Name

(2E)-3-(3,4-dimethoxyphenyl)-N-(4,6-dimethylpyrimidin-2-yl)prop-2-enamide

IUPAC name

(2E)-3-(34-dimethoxyphenyl)-N-(46-dimethylpyrimidin-2-yl)prop-2-enamide

SMILES

Cc1nc(NC(/C=C/c(cc2)cc(OC)c2OC)=O)nc(C)c1

InChI

InChI=1S/C17H19N3O3/c1-11-9-12(2)19-17(18-11)20-16(21)8-6-13-5-7-14(22-3)15(10-13)23-4/h5-10H,1-4H3,(H,18,19,20,21)

InChI Key

HDMHDKFBAYGUHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03190495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.494

Distribution Coefficient, logD

2.493

Water Solubility, LogSw

-2.98

Polar Surface Area

57.695

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

2.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

5594-3172 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

KRAS-Targeted Library (16000 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5594-3172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-3172?
Check Price and Availability of 5594-3172, 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 5594-3172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-3172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-3172
  • 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 5594-3172 available by request