8017-2575 Screening compound: N~1~-[(6-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenyl)methyl]-2,2-diphenylacetamide

8017-2575 Screening compound: N~1~-[(6-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenyl)methyl]-2,2-diphenylacetamide
8017-2575 Screening compound: N~1~-[(6-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenyl)methyl]-2,2-diphenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2575
N~1~-[(6-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenyl)methyl]-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

8017-2575

Molecular Formula

C34H41NO (C34 H41 NO)

Compound Name

N~1~-[(6-isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenyl)methyl]-2,2-diphenylacetamide

IUPAC name

N-{[14a-dimethyl-6-(propan-2-yl)-12344a91010a-octahydrophenanthren-1-yl]methyl}-22-diphenylacetamide

SMILES

CC(C)c1cc(C2(C)C(CC3)C(C)(CNC(C(c4ccccc4)c4ccccc4)=O)CCC2)c3cc1

InChI

InChI=1S/C34H41NO/c1-24(2)28-17-16-25-18-19-30-33(3,20-11-21-34(30,4)29(25)22-28)23-35-32(36)31(26-12-7-5-8-13-26)27-14-9-6-10-15-27/h5-10,12-17,22,24,30-31H,11,18-21,23H2,1-4H3,(H,35,36)

InChI Key

GKJUQYVEHIVDGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015364

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.71

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

8.377

Distribution Coefficient, logD

8.377

Water Solubility, LogSw

-5.81

Polar Surface Area

24.221

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

44.12

8017-2575 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8017-2575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2575?
Check Price and Availability of 8017-2575, 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 8017-2575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2575
  • 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 8017-2575 available by request