8013-5422 Screening compound: 2-[1-(4-chlorophenyl)-3-(4-fluorophenethyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N~1~-(4-methoxyphenyl)acetamide

8013-5422 Screening compound: 2-[1-(4-chlorophenyl)-3-(4-fluorophenethyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N~1~-(4-methoxyphenyl)acetamide
8013-5422 Screening compound: 2-[1-(4-chlorophenyl)-3-(4-fluorophenethyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N~1~-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5422
2-[1-(4-chlorophenyl)-3-(4-fluorophenethyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N~1~-(4-methoxyphenyl)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

8013-5422

Molecular Formula

C26H23ClFN3O3S (C26 H23 ClFN3 O3 S)

Compound Name

2-[1-(4-chlorophenyl)-3-(4-fluorophenethyl)-5-oxo-2-thioxo-4-imidazolidinyl]-N~1~-(4-methoxyphenyl)acetamide

IUPAC name

2-[1-(4-chlorophenyl)-3-[2-(4-fluorophenyl)ethyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

SMILES

COc(cc1)ccc1NC(CC(C(N1c(cc2)ccc2Cl)=O)N(CCc(cc2)ccc2F)C1=S)=O

InChI

InChI=1S/C26H23ClFN3O3S/c1-34-22-12-8-20(9-13-22)29-24(32)16-23-25(33)31(21-10-4-18(27)5-11-21)26(35)30(23)15-14-17-2-6-19(28)7-3-17/h2-13,23H,14-16H2,1H3,(H,29,32)/t23-/m1/s1

InChI Key

PYICEKVXULCHGZ-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD03453740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.623

Distribution Coefficient, logD

4.623

Water Solubility, LogSw

-4.76

Polar Surface Area

48.919

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.23

8013-5422 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 8013-5422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5422?
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What is the minimum amount of 8013-5422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5422
  • 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 8013-5422 available by request