8014-5407 Screening compound: N~1~-[5-[2-(3-chloroanilino)-2-oxoethyl]-3-(4-chlorophenyl)-4-oxo-2-thioxo-1-imidazolidinyl]-3-methoxybenzamide

8014-5407 Screening compound: N~1~-[5-[2-(3-chloroanilino)-2-oxoethyl]-3-(4-chlorophenyl)-4-oxo-2-thioxo-1-imidazolidinyl]-3-methoxybenzamide
8014-5407 Screening compound: N~1~-[5-[2-(3-chloroanilino)-2-oxoethyl]-3-(4-chlorophenyl)-4-oxo-2-thioxo-1-imidazolidinyl]-3-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-5407
N~1~-[5-[2-(3-chloroanilino)-2-oxoethyl]-3-(4-chlorophenyl)-4-oxo-2-thioxo-1-imidazolidinyl]-3-methoxybenzamide

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

8014-5407

Molecular Formula

C25H20Cl2N4O4S (C25 H20 Cl2 N4 O4 S)

Compound Name

N~1~-[5-[2-(3-chloroanilino)-2-oxoethyl]-3-(4-chlorophenyl)-4-oxo-2-thioxo-1-imidazolidinyl]-3-methoxybenzamide

IUPAC name

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

SMILES

COc1cccc(C(NN(C(CC(Nc2cccc(Cl)c2)=O)C(N2c(cc3)ccc3Cl)=O)C2=S)=O)c1

InChI

InChI=1S/C25H20Cl2N4O4S/c1-35-20-7-2-4-15(12-20)23(33)29-31-21(14-22(32)28-18-6-3-5-17(27)13-18)24(34)30(25(31)36)19-10-8-16(26)9-11-19/h2-13,21H,14H2,1H3,(H,28,32)(H,29,33)/t21-/m0/s1

InChI Key

QJIXCITZCUFWBO-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03453715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

543.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.262

Distribution Coefficient, logD

1.676

Water Solubility, LogSw

-4.64

Polar Surface Area

75.342

Acid Dissociation Constant (pKa)

4.82

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

8014-5407 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 8014-5407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-5407?
Check Price and Availability of 8014-5407, 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 8014-5407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-5407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-5407
  • 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 8014-5407 available by request