C094-1604 Screening compound: ethyl 2-{benzyl[(cyclohexylcarbamoyl)(4-methylphenyl)methyl]amino}acetate

C094-1604 Screening compound: ethyl 2-{benzyl[(cyclohexylcarbamoyl)(4-methylphenyl)methyl]amino}acetate
C094-1604 Screening compound: ethyl 2-{benzyl[(cyclohexylcarbamoyl)(4-methylphenyl)methyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1604
ethyl 2-{benzyl[(cyclohexylcarbamoyl)(4-methylphenyl)methyl]amino}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

C094-1604

Molecular Formula

C26H34N2O3 (C26 H34 N2 O3)

Compound Name

ethyl 2-{benzyl[(cyclohexylcarbamoyl)(4-methylphenyl)methyl]amino}acetate

IUPAC name

ethyl 2-{benzyl[(cyclohexylcarbamoyl)(4-methylphenyl)methyl]amino}acetate

SMILES

CCOC(CN(Cc1ccccc1)C(C(NC1CCCCC1)=O)c1ccc(C)cc1)=O

InChI

InChI=1S/C26H34N2O3/c1-3-31-24(29)19-28(18-21-10-6-4-7-11-21)25(22-16-14-20(2)15-17-22)26(30)27-23-12-8-5-9-13-23/h4,6-7,10-11,14-17,23,25H,3,5,8-9,12-13,18-19H2,1-2H3,(H,27,30)/t25-/m1/s1

InChI Key

SOGUGLZFYCNXMV-RUZDIDTESA-N

MDL Number (MFCD)

MFCD03449982

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.144

Distribution Coefficient, logD

5.144

Water Solubility, LogSw

-4.84

Polar Surface Area

47.124

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

C094-1604 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C094-1604 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1604?
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What is the minimum amount of C094-1604 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1604
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1604
  • 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 C094-1604 available by request