2859-0390 Screening compound: N-cyclohexyl-2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinoline-1-carboxamide

2859-0390 Screening compound: N-cyclohexyl-2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinoline-1-carboxamide
2859-0390 Screening compound: N-cyclohexyl-2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinoline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2859-0390
N-cyclohexyl-2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinoline-1-carboxamide

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

2859-0390

Molecular Formula

C38H40N2O (C38 H40 N2 O)

Compound Name

N-cyclohexyl-2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinoline-1-carboxamide

IUPAC name

N-cyclohexyl-224-trimethyl-6-(triphenylmethyl)-12-dihydroquinoline-1-carboxamide

SMILES

CC1(C)N(C(NC2CCCCC2)=O)c(ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2)c2C(C)=C1

InChI

InChI=1S/C38H40N2O/c1-28-27-37(2,3)40(36(41)39-33-22-14-7-15-23-33)35-25-24-32(26-34(28)35)38(29-16-8-4-9-17-29,30-18-10-5-11-19-30)31-20-12-6-13-21-31/h4-6,8-13,16-21,24-27,33H,7,14-15,22-23H2,1-3H3,(H,39,41)

InChI Key

QLTRYRNYPKSCAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01796253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.75

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

10.072

Distribution Coefficient, logD

10.072

Water Solubility, LogSw

-5.66

Polar Surface Area

23.378

Acid Dissociation Constant (pKa)

17.96

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.90

2859-0390 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2859-0390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2859-0390?
Check Price and Availability of 2859-0390, 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 2859-0390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2859-0390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2859-0390
  • 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 2859-0390 available by request