8010-0105 Screening compound: 4-[(2-hydroxy-2,2-diphenylacetyl)amino]-1-methylpyridinium

8010-0105 Screening compound: 4-[(2-hydroxy-2,2-diphenylacetyl)amino]-1-methylpyridinium
8010-0105 Screening compound: 4-[(2-hydroxy-2,2-diphenylacetyl)amino]-1-methylpyridinium alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-0105
4-[(2-hydroxy-2,2-diphenylacetyl)amino]-1-methylpyridinium

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

8010-0105

Molecular Formula

C20H19N2O2 (C20 H19 N2 O2)

Compound Name

4-[(2-hydroxy-2,2-diphenylacetyl)amino]-1-methylpyridinium

IUPAC name

4-(2-hydroxy-22-diphenylacetamido)-1-methylpyridin-1-ium

SMILES

C[n+](cc1)ccc1NC(C(c1ccccc1)(c1ccccc1)O)=O

InChI

InChI=1S/C20H18N2O2/c1-22-14-12-18(13-15-22)21-19(23)20(24,16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,24H,1H3/p+1

InChI Key

FJWNDAMZEZBDKS-UHFFFAOYSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

319.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.498

Distribution Coefficient, logD

2.498

Water Solubility, LogSw

-2.87

Polar Surface Area

41.492

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-9.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

8010-0105 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 8010-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-0105?
Check Price and Availability of 8010-0105, 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 8010-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-0105
  • 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 8010-0105 available by request