4477-2248 Screening compound: N-[(Z)-({4-[(4-chlorophenyl)methoxy]phenyl}amino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide

4477-2248 Screening compound: N-[(Z)-({4-[(4-chlorophenyl)methoxy]phenyl}amino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide
4477-2248 Screening compound: N-[(Z)-({4-[(4-chlorophenyl)methoxy]phenyl}amino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4477-2248
N-[(Z)-({4-[(4-chlorophenyl)methoxy]phenyl}amino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide

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

4477-2248

Molecular Formula

C30H25ClN6O4 (C30 H25 ClN6 O4)

Compound Name

N-[(Z)-({4-[(4-chlorophenyl)methoxy]phenyl}amino)[(4,6-dimethylpyrimidin-2-yl)amino]methylidene]-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide

IUPAC name

N-[(Z)-({4-[(4-chlorophenyl)methoxy]phenyl}amino)[(46-dimethylpyrimidin-2-yl)amino]methylidene]-2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)acetamide

SMILES

Cc1nc(N/C(/Nc(cc2)ccc2OCc(cc2)ccc2Cl)=N\C(CN(C(c2c3cccc2)=O)C3=O)=O)nc(C)c1

InChI

InChI=1S/C30H25ClN6O4/c1-18-15-19(2)33-29(32-18)36-30(35-26(38)16-37-27(39)24-5-3-4-6-25(24)28(37)40)34-22-11-13-23(14-12-22)41-17-20-7-9-21(31)10-8-20/h3-15H,16-17H2,1-2H3,(H2,32,33,34,35,36,38)

InChI Key

YZPOABUDASZZRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02611544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.02

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.532

Distribution Coefficient, logD

4.509

Water Solubility, LogSw

-4.66

Polar Surface Area

96.386

Acid Dissociation Constant (pKa)

8.67

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4477-2248 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4477-2248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4477-2248?
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What is the minimum amount of 4477-2248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4477-2248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4477-2248
  • 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 4477-2248 available by request