8013-2074 Screening compound: N-[3-(4-chlorophenyl)-5-{[(4-chlorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluorobenzamide

8013-2074 Screening compound: N-[3-(4-chlorophenyl)-5-{[(4-chlorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluorobenzamide
8013-2074 Screening compound: N-[3-(4-chlorophenyl)-5-{[(4-chlorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2074
N-[3-(4-chlorophenyl)-5-{[(4-chlorophenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluorobenzamide

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

8013-2074

Molecular Formula

C24H17Cl2FN4O3S (C24 H17 Cl2 FN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CC(C(N(C1=S)c(cc2)ccc2Cl)=O)N1NC(c1cc(F)ccc1)=O)Nc(cc1)ccc1Cl

InChI

InChI=1S/C24H17Cl2FN4O3S/c25-15-4-8-18(9-5-15)28-21(32)13-20-23(34)30(19-10-6-16(26)7-11-19)24(35)31(20)29-22(33)14-2-1-3-17(27)12-14/h1-12,20H,13H2,(H,28,32)(H,29,33)/t20-/m1/s1

InChI Key

BEQUUWQJVRWMDB-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD02143951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.164

Distribution Coefficient, logD

0.073

Water Solubility, LogSw

-4.61

Polar Surface Area

67.798

Acid Dissociation Constant (pKa)

3.31

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

8013-2074 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 8013-2074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2074?
Check Price and Availability of 8013-2074, 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 8013-2074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2074
  • 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 8013-2074 available by request