4477-1519 Screening compound: 3-(3,4-dichlorophenyl)-1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(3-methylphenyl)amino]methylidene]urea

4477-1519 Screening compound: 3-(3,4-dichlorophenyl)-1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(3-methylphenyl)amino]methylidene]urea
4477-1519 Screening compound: 3-(3,4-dichlorophenyl)-1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(3-methylphenyl)amino]methylidene]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-1519
3-(3,4-dichlorophenyl)-1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(3-methylphenyl)amino]methylidene]urea

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

4477-1519

Molecular Formula

C21H20Cl2N6O (C21 H20 Cl2 N6 O)

Compound Name

3-(3,4-dichlorophenyl)-1-[(Z)-[(4,6-dimethylpyrimidin-2-yl)amino][(3-methylphenyl)amino]methylidene]urea

IUPAC name

3-(34-dichlorophenyl)-1-[(Z)-[(46-dimethylpyrimidin-2-yl)amino][(3-methylphenyl)amino]methylidene]urea

SMILES

Cc1cccc(N/C(/Nc2nc(C)cc(C)n2)=N/C(Nc(cc2)cc(Cl)c2Cl)=O)c1

InChI

InChI=1S/C21H20Cl2N6O/c1-12-5-4-6-15(9-12)26-20(28-19-24-13(2)10-14(3)25-19)29-21(30)27-16-7-8-17(22)18(23)11-16/h4-11H,1-3H3,(H3,24,25,26,27,28,29,30)

InChI Key

VCAYEQHYTFUKNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.377

Distribution Coefficient, logD

0.786

Water Solubility, LogSw

-5.98

Polar Surface Area

69.059

Acid Dissociation Constant (pKa)

11.38

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 4477-1519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-1519?
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What is the minimum amount of 4477-1519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-1519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-1519
  • 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 4477-1519 available by request