8017-9778 Screening compound: 1,1-bis[4-(dimethylamino)phenyl]-2-octadecyn-1-ol

8017-9778 Screening compound: 1,1-bis[4-(dimethylamino)phenyl]-2-octadecyn-1-ol
8017-9778 Screening compound: 1,1-bis[4-(dimethylamino)phenyl]-2-octadecyn-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-9778
1,1-bis[4-(dimethylamino)phenyl]-2-octadecyn-1-ol

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

8017-9778

Molecular Formula

C34H52N2O (C34 H52 N2 O)

Compound Name

1,1-bis[4-(dimethylamino)phenyl]-2-octadecyn-1-ol

IUPAC name

11-bis[4-(dimethylamino)phenyl]octadec-2-yn-1-ol

SMILES

CCCCCCCCCCCCCCCC#CC(c(cc1)ccc1N(C)C)(c(cc1)ccc1N(C)C)O

InChI

InChI=1S/C34H52N2O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-34(37,30-21-25-32(26-22-30)35(2)3)31-23-27-33(28-24-31)36(4)5/h21-28,37H,6-19H2,1-5H3

InChI Key

WYHNAKAEPXOPDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07021606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.8

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

19.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

10.674

Distribution Coefficient, logD

10.672

Water Solubility, LogSw

-6.04

Polar Surface Area

21.112

Acid Dissociation Constant (pKa)

14.12

Base Dissociation Constant (pKb)

8.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.82

8017-9778 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • 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 8017-9778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-9778?
Check Price and Availability of 8017-9778, 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 8017-9778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-9778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-9778
  • 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 8017-9778 available by request