8016-1668 Screening compound: 2-{1-(4-chlorophenyl)-3-[2-(3-methyl-2-thienyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N~1~-(4-fluorophenyl)acetamide

8016-1668 Screening compound: 2-{1-(4-chlorophenyl)-3-[2-(3-methyl-2-thienyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N~1~-(4-fluorophenyl)acetamide
8016-1668 Screening compound: 2-{1-(4-chlorophenyl)-3-[2-(3-methyl-2-thienyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N~1~-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1668
2-{1-(4-chlorophenyl)-3-[2-(3-methyl-2-thienyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N~1~-(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

8016-1668

Molecular Formula

C24H21ClFN3O2S2 (C24 H21 ClFN3 O2 S2)

Compound Name

2-{1-(4-chlorophenyl)-3-[2-(3-methyl-2-thienyl)ethyl]-5-oxo-2-thioxo-4-imidazolidinyl}-N~1~-(4-fluorophenyl)acetamide

IUPAC name

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

SMILES

Cc1c(CCN(C(CC(Nc(cc2)ccc2F)=O)C(N2c(cc3)ccc3Cl)=O)C2=S)scc1

InChI

InChI=1S/C24H21ClFN3O2S2/c1-15-11-13-33-21(15)10-12-28-20(14-22(30)27-18-6-4-17(26)5-7-18)23(31)29(24(28)32)19-8-2-16(25)3-9-19/h2-9,11,13,20H,10,12,14H2,1H3,(H,27,30)/t20-/m1/s1

InChI Key

BTHYYRSYAWXGHB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD05854389

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.03

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.946

Distribution Coefficient, logD

4.946

Water Solubility, LogSw

-4.84

Polar Surface Area

42.394

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.83

8016-1668 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 8016-1668 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1668?
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What is the minimum amount of 8016-1668 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1668
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1668
  • 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 8016-1668 available by request