4998-2234 Screening compound: 2-[(4E)-4-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide

4998-2234 Screening compound: 2-[(4E)-4-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
4998-2234 Screening compound: 2-[(4E)-4-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4998-2234
2-[(4E)-4-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)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

4998-2234

Molecular Formula

C27H33N3O4 (C27 H33 N3 O4)

Compound Name

2-[(4E)-4-[(3,5-di-tert-butyl-4-hydroxyphenyl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide

IUPAC name

2-[(4E)-4-[(35-di-tert-butyl-4-hydroxyphenyl)methylidene]-25-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide

SMILES

CC(C)(C)c1cc(/C=C(\C(N2CC(Nc3ccc(C)cc3)=O)=O)/NC2=O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C27H33N3O4/c1-16-8-10-18(11-9-16)28-22(31)15-30-24(33)21(29-25(30)34)14-17-12-19(26(2,3)4)23(32)20(13-17)27(5,6)7/h8-14,32H,15H2,1-7H3,(H,28,31)(H,29,34)

InChI Key

XPNQOUUEZZXUPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03848999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.694

Distribution Coefficient, logD

5.694

Water Solubility, LogSw

-5.20

Polar Surface Area

79.299

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

4998-2234 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 4998-2234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4998-2234?
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What is the minimum amount of 4998-2234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4998-2234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4998-2234
  • 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 4998-2234 available by request