8020-3096 Screening compound: 1-{[(2-phenylpyrimidin-5-yl)methyl]amino}propan-2-ol

8020-3096 Screening compound: 1-{[(2-phenylpyrimidin-5-yl)methyl]amino}propan-2-ol
8020-3096 Screening compound: 1-{[(2-phenylpyrimidin-5-yl)methyl]amino}propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3096
1-{[(2-phenylpyrimidin-5-yl)methyl]amino}propan-2-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

8020-3096

Molecular Formula

C14H17N3O (C14 H17 N3 O)

Compound Name

1-{[(2-phenylpyrimidin-5-yl)methyl]amino}propan-2-ol

IUPAC name

1-{[(2-phenylpyrimidin-5-yl)methyl]amino}propan-2-ol

SMILES

CC(CNCc1cnc(-c2ccccc2)nc1)O

InChI

InChI=1S/C14H17N3O/c1-11(18)7-15-8-12-9-16-14(17-10-12)13-5-3-2-4-6-13/h2-6,9-11,15,18H,7-8H2,1H3/t11-/m0/s1

InChI Key

XYMHSKOMOPLKLB-NSHDSACASA-N

MDL Number (MFCD)

MFCD16171672

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

243.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.932

Distribution Coefficient, logD

0.589

Water Solubility, LogSw

-0.92

Polar Surface Area

48.097

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

8020-3096 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-3096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3096?
Check Price and Availability of 8020-3096, 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 8020-3096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3096
  • 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 8020-3096 available by request