4478-7567 Screening compound: 2-(4-chloro-2-methylphenoxy)-N-{4-[2-(4-chloro-2-methylphenoxy)acetamido]phenyl}acetamide

4478-7567 Screening compound: 2-(4-chloro-2-methylphenoxy)-N-{4-[2-(4-chloro-2-methylphenoxy)acetamido]phenyl}acetamide
4478-7567 Screening compound: 2-(4-chloro-2-methylphenoxy)-N-{4-[2-(4-chloro-2-methylphenoxy)acetamido]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-7567
2-(4-chloro-2-methylphenoxy)-N-{4-[2-(4-chloro-2-methylphenoxy)acetamido]phenyl}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

4478-7567

Molecular Formula

C24H22Cl2N2O4 (C24 H22 Cl2 N2 O4)

Compound Name

2-(4-chloro-2-methylphenoxy)-N-{4-[2-(4-chloro-2-methylphenoxy)acetamido]phenyl}acetamide

IUPAC name

2-(4-chloro-2-methylphenoxy)-N-{4-[2-(4-chloro-2-methylphenoxy)acetamido]phenyl}acetamide

SMILES

Cc(cc(cc1)Cl)c1OCC(Nc(cc1)ccc1NC(COc(cc1)c(C)cc1Cl)=O)=O

InChI

InChI=1S/C24H22Cl2N2O4/c1-15-11-17(25)3-9-21(15)31-13-23(29)27-19-5-7-20(8-6-19)28-24(30)14-32-22-10-4-18(26)12-16(22)2/h3-12H,13-14H2,1-2H3,(H,27,29)(H,28,30)

InChI Key

WOURDHMZGLSXBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02603288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.926

Distribution Coefficient, logD

6.926

Water Solubility, LogSw

-6.33

Polar Surface Area

61.166

Acid Dissociation Constant (pKa)

12.53

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4478-7567 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 4478-7567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-7567?
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What is the minimum amount of 4478-7567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-7567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-7567
  • 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 4478-7567 available by request