4477-1854 Screening compound: N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(4-methoxyphenyl)amino]methylidene]propanamide

4477-1854 Screening compound: N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(4-methoxyphenyl)amino]methylidene]propanamide
4477-1854 Screening compound: N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(4-methoxyphenyl)amino]methylidene]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1854
N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(4-methoxyphenyl)amino]methylidene]propanamide

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

4477-1854

Molecular Formula

C17H21N5O2 (C17 H21 N5 O2)

Compound Name

N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(4-methoxyphenyl)amino]methylidene]propanamide

IUPAC name

N-[(Z)-[(46-dimethylpyrimidin-2-yl)amino][(4-methoxyphenyl)amino]methylidene]propanamide

SMILES

CCC(/N=C(/Nc(cc1)ccc1OC)\Nc1nc(C)cc(C)n1)=O

InChI

InChI=1S/C17H21N5O2/c1-5-15(23)21-17(20-13-6-8-14(24-4)9-7-13)22-16-18-11(2)10-12(3)19-16/h6-10H,5H2,1-4H3,(H2,18,19,20,21,22,23)

InChI Key

NGSOHACVLXMUCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

2.360

Water Solubility, LogSw

-3.01

Polar Surface Area

67.449

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 4477-1854 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1854?
Check Price and Availability of 4477-1854, 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 4477-1854 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1854
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1854
  • 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 4477-1854 available by request