C636-2152 Screening compound: ethyl 4-{2-[1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamido}benzoate

C636-2152 Screening compound: ethyl 4-{2-[1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamido}benzoate
C636-2152 Screening compound: ethyl 4-{2-[1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C636-2152
ethyl 4-{2-[1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamido}benzoate

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

C636-2152

Molecular Formula

C30H31N3O7 (C30 H31 N3 O7)

Compound Name

ethyl 4-{2-[1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[1-(3-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-25-dioxoimidazolidin-4-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1c2cc(OC)ccc2)=O)N(CCc(cc2)ccc2OC)C1=O)=O)=O

InChI

InChI=1S/C30H31N3O7/c1-4-40-29(36)21-10-12-22(13-11-21)31-27(34)19-26-28(35)33(23-6-5-7-25(18-23)39-3)30(37)32(26)17-16-20-8-14-24(38-2)15-9-20/h5-15,18,26H,4,16-17,19H2,1-3H3,(H,31,34)/t26-/m1/s1

InChI Key

JQIPFUUNMYQWLE-AREMUKBSSA-N

MDL Number (MFCD)

MFCD06165095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.535

Distribution Coefficient, logD

4.535

Water Solubility, LogSw

-4.23

Polar Surface Area

90.524

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

C636-2152 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C636-2152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C636-2152?
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What is the minimum amount of C636-2152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C636-2152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C636-2152
  • 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 C636-2152 available by request