C636-2336 Screening compound: methyl 4-{2-[1-(3-methylphenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]acetamido}benzoate

C636-2336 Screening compound: methyl 4-{2-[1-(3-methylphenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]acetamido}benzoate
C636-2336 Screening compound: methyl 4-{2-[1-(3-methylphenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C636-2336
methyl 4-{2-[1-(3-methylphenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-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

C636-2336

Molecular Formula

C23H23N3O5 (C23 H23 N3 O5)

Compound Name

methyl 4-{2-[1-(3-methylphenyl)-2,5-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]acetamido}benzoate

IUPAC name

methyl 4-{2-[1-(3-methylphenyl)-25-dioxo-3-(prop-2-en-1-yl)imidazolidin-4-yl]acetamido}benzoate

SMILES

Cc1cccc(N(C(C(CC(Nc(cc2)ccc2C(OC)=O)=O)N2CC=C)=O)C2=O)c1

InChI

InChI=1S/C23H23N3O5/c1-4-12-25-19(21(28)26(23(25)30)18-7-5-6-15(2)13-18)14-20(27)24-17-10-8-16(9-11-17)22(29)31-3/h4-11,13,19H,1,12,14H2,2-3H3,(H,24,27)/t19-/m1/s1

InChI Key

HEQYQJVMXKBFBI-LJQANCHMSA-N

MDL Number (MFCD)

MFCD05859919

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.108

Distribution Coefficient, logD

3.108

Water Solubility, LogSw

-3.29

Polar Surface Area

76.128

Acid Dissociation Constant (pKa)

10.49

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

C636-2336 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 C636-2336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C636-2336?
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What is the minimum amount of C636-2336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C636-2336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C636-2336
  • 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 C636-2336 available by request