8015-4861 Screening compound: N~1~-[3-(4-isopropyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2,2-diphenylacetamide

8015-4861 Screening compound: N~1~-[3-(4-isopropyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2,2-diphenylacetamide
8015-4861 Screening compound: N~1~-[3-(4-isopropyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2,2-diphenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-4861
N~1~-[3-(4-isopropyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2,2-diphenylacetamide

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

8015-4861

Molecular Formula

C29H33NO3 (C29 H33 NO3)

Compound Name

N~1~-[3-(4-isopropyl-5,5-dimethyl-1,3-dioxan-2-yl)phenyl]-2,2-diphenylacetamide

IUPAC name

N-{3-[55-dimethyl-4-(propan-2-yl)-13-dioxan-2-yl]phenyl}-22-diphenylacetamide

SMILES

CC(C)C1OC(c2cccc(NC(C(c3ccccc3)c3ccccc3)=O)c2)OCC1(C)C

InChI

InChI=1S/C29H33NO3/c1-20(2)26-29(3,4)19-32-28(33-26)23-16-11-17-24(18-23)30-27(31)25(21-12-7-5-8-13-21)22-14-9-6-10-15-22/h5-18,20,25-26,28H,19H2,1-4H3,(H,30,31)

InChI Key

XFTCCBHTEDMMLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061747

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.292

Distribution Coefficient, logD

6.292

Water Solubility, LogSw

-5.52

Polar Surface Area

39.704

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.48

8015-4861 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 8015-4861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-4861?
Check Price and Availability of 8015-4861, 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 8015-4861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-4861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-4861
  • 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 8015-4861 available by request