4446-0104 Screening compound: (5Z)-5-({5-chloro-2-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]phenyl}methylidene)imidazolidine-2,4-dione

4446-0104 Screening compound: (5Z)-5-({5-chloro-2-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]phenyl}methylidene)imidazolidine-2,4-dione
4446-0104 Screening compound: (5Z)-5-({5-chloro-2-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]phenyl}methylidene)imidazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4446-0104
(5Z)-5-({5-chloro-2-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]phenyl}methylidene)imidazolidine-2,4-dione

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

4446-0104

Molecular Formula

C21H20Cl2N2O4 (C21 H20 Cl2 N2 O4)

Compound Name

(5Z)-5-({5-chloro-2-[3-(4-chloro-3,5-dimethylphenoxy)propoxy]phenyl}methylidene)imidazolidine-2,4-dione

IUPAC name

(5Z)-5-({5-chloro-2-[3-(4-chloro-35-dimethylphenoxy)propoxy]phenyl}methylidene)imidazolidine-24-dione

SMILES

Cc1cc(OCCCOc(cc2)c(/C=C(/C(N3)=O)\NC3=O)cc2Cl)cc(C)c1Cl

InChI

InChI=1S/C21H20Cl2N2O4/c1-12-8-16(9-13(2)19(12)23)28-6-3-7-29-18-5-4-15(22)10-14(18)11-17-20(26)25-21(27)24-17/h4-5,8-11H,3,6-7H2,1-2H3,(H2,24,25,26,27)

InChI Key

VFOXTGALWXCDEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.546

Distribution Coefficient, logD

5.542

Water Solubility, LogSw

-5.84

Polar Surface Area

63.962

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4446-0104 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4446-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4446-0104?
Check Price and Availability of 4446-0104, 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 4446-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4446-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4446-0104
  • 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 4446-0104 available by request