4444-0183 Screening compound: 2-METHOXY-4-[1-(4-METHYLBENZENESULFONYL)-3-PROPANOYLIMIDAZOLIDIN-2-YL]PHENYL PROPANOATE

4444-0183 Screening compound: 2-METHOXY-4-[1-(4-METHYLBENZENESULFONYL)-3-PROPANOYLIMIDAZOLIDIN-2-YL]PHENYL PROPANOATE
4444-0183 Screening compound: 2-METHOXY-4-[1-(4-METHYLBENZENESULFONYL)-3-PROPANOYLIMIDAZOLIDIN-2-YL]PHENYL PROPANOATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 4444-0183
2-METHOXY-4-[1-(4-METHYLBENZENESULFONYL)-3-PROPANOYLIMIDAZOLIDIN-2-YL]PHENYL PROPANOATE

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

4444-0183

Molecular Formula

C23H28N2O6S (C23 H28 N2 O6 S)

Compound Name

2-METHOXY-4-[1-(4-METHYLBENZENESULFONYL)-3-PROPANOYLIMIDAZOLIDIN-2-YL]PHENYL PROPANOATE

IUPAC name

2-methoxy-4-[1-(4-methylbenzenesulfonyl)-3-propanoylimidazolidin-2-yl]phenyl propanoate

SMILES

CCC(N(CC1)C(c(cc2)cc(OC)c2OC(CC)=O)N1S(c1ccc(C)cc1)(=O)=O)=O

InChI

InChI=1S/C23H28N2O6S/c1-5-21(26)24-13-14-25(32(28,29)18-10-7-16(3)8-11-18)23(24)17-9-12-19(20(15-17)30-4)31-22(27)6-2/h7-12,15,23H,5-6,13-14H2,1-4H3/t23-/m0/s1

InChI Key

VVDLESXLMJUGHL-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD02647295

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.665

Distribution Coefficient, logD

3.665

Water Solubility, LogSw

-3.85

Polar Surface Area

75.934

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

4444-0183 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 4444-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4444-0183?
Check Price and Availability of 4444-0183, 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 4444-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4444-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4444-0183
  • 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 4444-0183 available by request