C094-1603 Screening compound: ethyl 2-{benzyl[(cyclohexylcarbamoyl)(phenyl)methyl]amino}acetate

C094-1603 Screening compound: ethyl 2-{benzyl[(cyclohexylcarbamoyl)(phenyl)methyl]amino}acetate
C094-1603 Screening compound: ethyl 2-{benzyl[(cyclohexylcarbamoyl)(phenyl)methyl]amino}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-1603
ethyl 2-{benzyl[(cyclohexylcarbamoyl)(phenyl)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

C094-1603

Molecular Formula

C25H32N2O3 (C25 H32 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(CN(Cc1ccccc1)C(C(NC1CCCCC1)=O)c1ccccc1)=O

InChI

InChI=1S/C25H32N2O3/c1-2-30-23(28)19-27(18-20-12-6-3-7-13-20)24(21-14-8-4-9-15-21)25(29)26-22-16-10-5-11-17-22/h3-4,6-9,12-15,22,24H,2,5,10-11,16-19H2,1H3,(H,26,29)/t24-/m1/s1

InChI Key

GXBQOJBKOSRKDN-XMMPIXPASA-N

MDL Number (MFCD)

MFCD03449981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.54

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

4.725

Distribution Coefficient, logD

4.725

Water Solubility, LogSw

-4.25

Polar Surface Area

47.124

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

4.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

C094-1603 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C094-1603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-1603?
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What is the minimum amount of C094-1603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-1603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-1603
  • 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 C094-1603 available by request