4514-0521 Screening compound: 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide

4514-0521 Screening compound: 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide
4514-0521 Screening compound: 2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4514-0521
2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)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

4514-0521

Molecular Formula

C23H26FN3O4S (C23 H26 FN3 O4 S)

Compound Name

2-{3-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide

IUPAC name

2-{3-[2-(34-dimethoxyphenyl)ethyl]-1-ethyl-5-oxo-2-sulfanylideneimidazolidin-4-yl}-N-(4-fluorophenyl)acetamide

SMILES

CCN(C(C(CC(Nc(cc1)ccc1F)=O)N1CCc(cc2)cc(OC)c2OC)=O)C1=S

InChI

InChI=1S/C23H26FN3O4S/c1-4-26-22(29)18(14-21(28)25-17-8-6-16(24)7-9-17)27(23(26)32)12-11-15-5-10-19(30-2)20(13-15)31-3/h5-10,13,18H,4,11-12,14H2,1-3H3,(H,25,28)/t18-/m1/s1

InChI Key

QKJJONUKEPLZTN-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02142674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.737

Distribution Coefficient, logD

2.736

Water Solubility, LogSw

-3.28

Polar Surface Area

57.244

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

4514-0521 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 4514-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4514-0521?
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What is the minimum amount of 4514-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4514-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4514-0521
  • 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 4514-0521 available by request