C301-8504 Screening compound: ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]acetate

C301-8504 Screening compound: ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]acetate
C301-8504 Screening compound: ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8504
ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]acetate

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

C301-8504

Molecular Formula

C18H22N2O7 (C18 H22 N2 O7)

Compound Name

ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-[(4-hydroxyphenyl)methyl]-2,5-dioxoimidazolidin-1-yl]acetate

IUPAC name

ethyl 2-[3-(2-ethoxy-2-oxoethyl)-4-[(4-hydroxyphenyl)methyl]-25-dioxoimidazolidin-1-yl]acetate

SMILES

CCOC(CN(C(Cc(cc1)ccc1O)C(N1CC(OCC)=O)=O)C1=O)=O

InChI

InChI=1S/C18H22N2O7/c1-3-26-15(22)10-19-14(9-12-5-7-13(21)8-6-12)17(24)20(18(19)25)11-16(23)27-4-2/h5-8,14,21H,3-4,9-11H2,1-2H3/t14-/m1/s1

InChI Key

IFLXWZKSANXALM-CQSZACIVSA-N

MDL Number (MFCD)

MFCD14745489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.38

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.288

Distribution Coefficient, logD

1.287

Water Solubility, LogSw

-1.87

Polar Surface Area

90.644

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

-8.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

C301-8504 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C301-8504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8504?
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What is the minimum amount of C301-8504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8504
  • 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 C301-8504 available by request