8010-1172 Screening compound: 2-(piperidin-1-yl)-1-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]ethan-1-one

8010-1172 Screening compound: 2-(piperidin-1-yl)-1-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]ethan-1-one
8010-1172 Screening compound: 2-(piperidin-1-yl)-1-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-1172
2-(piperidin-1-yl)-1-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]ethan-1-one

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

8010-1172

Molecular Formula

C38H40N2O (C38 H40 N2 O)

Compound Name

2-(piperidin-1-yl)-1-[2,2,4-trimethyl-6-(triphenylmethyl)-1,2-dihydroquinolin-1-yl]ethan-1-one

IUPAC name

2-(piperidin-1-yl)-1-[224-trimethyl-6-(triphenylmethyl)-12-dihydroquinolin-1-yl]ethan-1-one

SMILES

CC1(C)N(C(CN2CCCCC2)=O)c(ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2)c2C(C)=C1

InChI

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

InChI Key

OJKPYKAUXPRMBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01859060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.75

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

8.402

Distribution Coefficient, logD

8.396

Water Solubility, LogSw

-5.60

Polar Surface Area

16.986

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.90

8010-1172 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 8010-1172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-1172?
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What is the minimum amount of 8010-1172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-1172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-1172
  • 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 8010-1172 available by request