8014-8085 Screening compound: 2-(acetylamino)-N~1~-{5-[2-(3-chloroanilino)-2-oxoethyl]-4-oxo-3-phenyl-2-thioxo-1-imidazolidinyl}acetamide

8014-8085 Screening compound: 2-(acetylamino)-N~1~-{5-[2-(3-chloroanilino)-2-oxoethyl]-4-oxo-3-phenyl-2-thioxo-1-imidazolidinyl}acetamide
8014-8085 Screening compound: 2-(acetylamino)-N~1~-{5-[2-(3-chloroanilino)-2-oxoethyl]-4-oxo-3-phenyl-2-thioxo-1-imidazolidinyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-8085
2-(acetylamino)-N~1~-{5-[2-(3-chloroanilino)-2-oxoethyl]-4-oxo-3-phenyl-2-thioxo-1-imidazolidinyl}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

8014-8085

Molecular Formula

C21H20ClN5O4S (C21 H20 ClN5 O4 S)

Compound Name

2-(acetylamino)-N~1~-{5-[2-(3-chloroanilino)-2-oxoethyl]-4-oxo-3-phenyl-2-thioxo-1-imidazolidinyl}acetamide

IUPAC name

N-(5-{[(3-chlorophenyl)carbamoyl]methyl}-4-oxo-3-phenyl-2-sulfanylideneimidazolidin-1-yl)-2-acetamidoacetamide

SMILES

CC(NCC(NN(C(CC(Nc1cccc(Cl)c1)=O)C(N1c2ccccc2)=O)C1=S)=O)=O

InChI

InChI=1S/C21H20ClN5O4S/c1-13(28)23-12-19(30)25-27-17(11-18(29)24-15-7-5-6-14(22)10-15)20(31)26(21(27)32)16-8-3-2-4-9-16/h2-10,17H,11-12H2,1H3,(H,23,28)(H,24,29)(H,25,30)/t17-/m0/s1

InChI Key

YFZNYAPFGFTUMR-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD03679686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.94

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.926

Distribution Coefficient, logD

-0.672

Water Solubility, LogSw

-2.57

Polar Surface Area

92.440

Acid Dissociation Constant (pKa)

5.81

Base Dissociation Constant (pKb)

-2.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.05

8014-8085 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8014-8085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-8085?
Check Price and Availability of 8014-8085, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8014-8085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-8085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-8085
  • 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 8014-8085 available by request