4477-2008 Screening compound: 1-[(Z)-[(3-chlorophenyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-(3,4-dichlorophenyl)urea

4477-2008 Screening compound: 1-[(Z)-[(3-chlorophenyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-(3,4-dichlorophenyl)urea
4477-2008 Screening compound: 1-[(Z)-[(3-chlorophenyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-(3,4-dichlorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-2008
1-[(Z)-[(3-chlorophenyl)amino][(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-3-(3,4-dichlorophenyl)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

4477-2008

Molecular Formula

C20H17Cl3N6O (C20 H17 Cl3 N6 O)

Compound Name

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

IUPAC name

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

SMILES

Cc1nc(N/C(/Nc2cc(Cl)ccc2)=N\C(Nc(cc2)cc(Cl)c2Cl)=O)nc(C)c1

InChI

InChI=1S/C20H17Cl3N6O/c1-11-8-12(2)25-18(24-11)28-19(26-14-5-3-4-13(21)9-14)29-20(30)27-15-6-7-16(22)17(23)10-15/h3-10H,1-2H3,(H3,24,25,26,27,28,29,30)

InChI Key

IFUAJDJYLSHWPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01975619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.75

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

5.771

Distribution Coefficient, logD

2.122

Water Solubility, LogSw

-6.05

Polar Surface Area

69.059

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

4.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 4477-2008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-2008?
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What is the minimum amount of 4477-2008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-2008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-2008
  • 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 4477-2008 available by request