2742-4628 Screening compound: 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)benzamide

2742-4628 Screening compound: 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)benzamide
2742-4628 Screening compound: 4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2742-4628
4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)benzamide

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

2742-4628

Molecular Formula

C27H25ClN2O5 (C27 H25 ClN2 O5)

Compound Name

4-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-(2,5-dioxo-1-phenylpyrrolidin-3-yl)benzamide

IUPAC name

4-chloro-N-[2-(34-dimethoxyphenyl)ethyl]-N-(25-dioxo-1-phenylpyrrolidin-3-yl)benzamide

SMILES

COc(ccc(CCN(C(CC(N1c2ccccc2)=O)C1=O)C(c(cc1)ccc1Cl)=O)c1)c1OC

InChI

InChI=1S/C27H25ClN2O5/c1-34-23-13-8-18(16-24(23)35-2)14-15-29(26(32)19-9-11-20(28)12-10-19)22-17-25(31)30(27(22)33)21-6-4-3-5-7-21/h3-13,16,22H,14-15,17H2,1-2H3/t22-/m0/s1

InChI Key

KDINRNFTBFZXBJ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01629250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.96

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.365

Distribution Coefficient, logD

3.365

Water Solubility, LogSw

-3.87

Polar Surface Area

59.126

Acid Dissociation Constant (pKa)

14.59

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

2742-4628 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2742-4628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2742-4628?
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What is the minimum amount of 2742-4628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2742-4628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2742-4628
  • 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 2742-4628 available by request