C094-2457 Screening compound: METHYL N-CYCLOHEXYL-2-HYDROXY-2-(1H-INDOL-3-YL)ETHANIMIDATE

C094-2457 Screening compound: METHYL N-CYCLOHEXYL-2-HYDROXY-2-(1H-INDOL-3-YL)ETHANIMIDATE
C094-2457 Screening compound: METHYL N-CYCLOHEXYL-2-HYDROXY-2-(1H-INDOL-3-YL)ETHANIMIDATE alternative view

Chemical Structure Depiction of ChemDiv screening compound C094-2457
METHYL N-CYCLOHEXYL-2-HYDROXY-2-(1H-INDOL-3-YL)ETHANIMIDATE

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

C094-2457

Molecular Formula

C17H22N2O2 (C17 H22 N2 O2)

Compound Name

METHYL N-CYCLOHEXYL-2-HYDROXY-2-(1H-INDOL-3-YL)ETHANIMIDATE

IUPAC name

n/a

SMILES

CO/C(/C(c1c[nH]c2c1cccc2)O)=N\C1CCCCC1

InChI

InChI=1S/C17H22N2O2/c1-21-17(19-12-7-3-2-4-8-12)16(20)14-11-18-15-10-6-5-9-13(14)15/h5-6,9-12,16,18,20H,2-4,7-8H2,1H3/t16-/m1/s1

InChI Key

RANBKKWCLUYHGL-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD03828872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.455

Distribution Coefficient, logD

3.385

Water Solubility, LogSw

-3.45

Polar Surface Area

41.987

Acid Dissociation Constant (pKa)

14.62

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

C094-2457 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C094-2457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C094-2457?
Check Price and Availability of C094-2457, 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 C094-2457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C094-2457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C094-2457
  • 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 C094-2457 available by request