E750-0694 Screening compound: 2-[1-(4-methylphenyl)-2,5-dioxo-3-[(thiophen-2-yl)methyl]imidazolidin-4-yl]-N-phenylacetamide

E750-0694 Screening compound: 2-[1-(4-methylphenyl)-2,5-dioxo-3-[(thiophen-2-yl)methyl]imidazolidin-4-yl]-N-phenylacetamide
E750-0694 Screening compound: 2-[1-(4-methylphenyl)-2,5-dioxo-3-[(thiophen-2-yl)methyl]imidazolidin-4-yl]-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E750-0694
2-[1-(4-methylphenyl)-2,5-dioxo-3-[(thiophen-2-yl)methyl]imidazolidin-4-yl]-N-phenylacetamide

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

E750-0694

Molecular Formula

C23H21N3O3S (C23 H21 N3 O3 S)

Compound Name

2-[1-(4-methylphenyl)-2,5-dioxo-3-[(thiophen-2-yl)methyl]imidazolidin-4-yl]-N-phenylacetamide

IUPAC name

2-[1-(4-methylphenyl)-25-dioxo-3-[(thiophen-2-yl)methyl]imidazolidin-4-yl]-N-phenylacetamide

SMILES

Cc(cc1)ccc1N(C(C(CC(Nc1ccccc1)=O)N1Cc2cccs2)=O)C1=O

InChI

InChI=1S/C23H21N3O3S/c1-16-9-11-18(12-10-16)26-22(28)20(14-21(27)24-17-6-3-2-4-7-17)25(23(26)29)15-19-8-5-13-30-19/h2-13,20H,14-15H2,1H3,(H,24,27)/t20-/m0/s1

InChI Key

NDSLMUGOAQPDFJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06666312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.520

Distribution Coefficient, logD

3.520

Water Solubility, LogSw

-3.69

Polar Surface Area

55.723

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

2.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

E750-0694 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 E750-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E750-0694?
Check Price and Availability of E750-0694, 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 E750-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E750-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E750-0694
  • 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 E750-0694 available by request