E750-0454 Screening compound: 2-[1-(4-chlorophenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide

E750-0454 Screening compound: 2-[1-(4-chlorophenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide
E750-0454 Screening compound: 2-[1-(4-chlorophenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E750-0454
2-[1-(4-chlorophenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]-N-(3,5-dimethoxyphenyl)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

E750-0454

Molecular Formula

C22H22ClN3O5 (C22 H22 ClN3 O5)

Compound Name

2-[1-(4-chlorophenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide

IUPAC name

2-[1-(4-chlorophenyl)-25-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]-N-(35-dimethoxyphenyl)acetamide

SMILES

COc1cc(NC(CC(C(N2c(cc3)ccc3Cl)=O)N(CC=C)C2=O)=O)cc(OC)c1

InChI

InChI=1S/C22H22ClN3O5/c1-4-9-25-19(21(28)26(22(25)29)16-7-5-14(23)6-8-16)13-20(27)24-15-10-17(30-2)12-18(11-15)31-3/h4-8,10-12,19H,1,9,13H2,2-3H3,(H,24,27)/t19-/m1/s1

InChI Key

XKOXTBGCEUPIDR-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14915043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.253

Distribution Coefficient, logD

3.252

Water Solubility, LogSw

-3.63

Polar Surface Area

70.042

Acid Dissociation Constant (pKa)

10.23

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

E750-0454 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E750-0454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E750-0454?
Check Price and Availability of E750-0454, 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 E750-0454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E750-0454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E750-0454
  • 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 E750-0454 available by request