C636-2291 Screening compound: 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl}-N-ethylacetamide

C636-2291 Screening compound: 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl}-N-ethylacetamide
C636-2291 Screening compound: 2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl}-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C636-2291
2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl}-N-ethylacetamide

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

C636-2291

Molecular Formula

C22H23N3O5 (C22 H23 N3 O5)

Compound Name

2-{3-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl}-N-ethylacetamide

IUPAC name

2-{3-[(2H-13-benzodioxol-5-yl)methyl]-1-(4-methylphenyl)-25-dioxoimidazolidin-4-yl}-N-ethylacetamide

SMILES

CCNC(CC(C(N1c2ccc(C)cc2)=O)N(Cc(cc2)cc3c2OCO3)C1=O)=O

InChI

InChI=1S/C22H23N3O5/c1-3-23-20(26)11-17-21(27)25(16-7-4-14(2)5-8-16)22(28)24(17)12-15-6-9-18-19(10-15)30-13-29-18/h4-10,17H,3,11-13H2,1-2H3,(H,23,26)/t17-/m1/s1

InChI Key

XUSGHKBULPVROE-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD05996194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.854

Distribution Coefficient, logD

1.854

Water Solubility, LogSw

-2.60

Polar Surface Area

73.039

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

C636-2291 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C636-2291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C636-2291?
Check Price and Availability of C636-2291, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C636-2291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C636-2291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C636-2291
  • 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 C636-2291 available by request