C636-0841 Screening compound: ethyl 4-{2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamido}benzoate

C636-0841 Screening compound: ethyl 4-{2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamido}benzoate
C636-0841 Screening compound: ethyl 4-{2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-2,5-dioxoimidazolidin-4-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C636-0841
ethyl 4-{2-[1-(3-methoxyphenyl)-3-(3-methylbutyl)-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

C636-0841

Molecular Formula

C26H31N3O6 (C26 H31 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(CC(C(N1c2cc(OC)ccc2)=O)N(CCC(C)C)C1=O)=O)=O

InChI

InChI=1S/C26H31N3O6/c1-5-35-25(32)18-9-11-19(12-10-18)27-23(30)16-22-24(31)29(20-7-6-8-21(15-20)34-4)26(33)28(22)14-13-17(2)3/h6-12,15,17,22H,5,13-14,16H2,1-4H3,(H,27,30)/t22-/m1/s1

InChI Key

KXCUWTWPBQOYTR-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD06165200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.394

Distribution Coefficient, logD

4.394

Water Solubility, LogSw

-4.19

Polar Surface Area

83.252

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

C636-0841 in Drug Discovery

Included in Screening Libraries

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 C636-0841 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C636-0841?
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What is the minimum amount of C636-0841 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C636-0841
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C636-0841
  • 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 C636-0841 available by request