4477-1941 Screening compound: N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino](phenylamino)methylidene]-2-methoxybenzamide

4477-1941 Screening compound: N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino](phenylamino)methylidene]-2-methoxybenzamide
4477-1941 Screening compound: N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino](phenylamino)methylidene]-2-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1941
N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino](phenylamino)methylidene]-2-methoxybenzamide

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

4477-1941

Molecular Formula

C21H21N5O2 (C21 H21 N5 O2)

Compound Name

N-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino](phenylamino)methylidene]-2-methoxybenzamide

IUPAC name

N-[(Z)-[(46-dimethylpyrimidin-2-yl)amino](phenylamino)methylidene]-2-methoxybenzamide

SMILES

Cc1nc(N/C(/Nc2ccccc2)=N\C(c(cccc2)c2OC)=O)nc(C)c1

InChI

InChI=1S/C21H21N5O2/c1-14-13-15(2)23-20(22-14)26-21(24-16-9-5-4-6-10-16)25-19(27)17-11-7-8-12-18(17)28-3/h4-13H,1-3H3,(H2,22,23,24,25,26,27)

InChI Key

XHZHPTPSXNGEOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.43

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

3.180

Distribution Coefficient, logD

2.046

Water Solubility, LogSw

-3.65

Polar Surface Area

67.478

Acid Dissociation Constant (pKa)

11.06

Base Dissociation Constant (pKb)

8.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4477-1941 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 4477-1941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1941?
Check Price and Availability of 4477-1941, 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 4477-1941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1941
  • 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 4477-1941 available by request