P066-0825 Screening compound: 3-(3

P066-0825 Screening compound: 3-(3
P066-0825 Screening compound: 3-(3 alternative view

Chemical Structure Depiction of ChemDiv screening compound P066-0825
3-(3

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

P066-0825

Molecular Formula

C21H23N3O2 (C21 H23 N3 O2)

Compound Name

3-(3

IUPAC name

n/a

SMILES

Cc1cccc(CNC(CCC(N2C)=Nc(c(C)ccc3)c3C2=O)=O)c1

InChI

InChI=1S/C21H23N3O2/c1-14-6-4-8-16(12-14)13-22-19(25)11-10-18-23-20-15(2)7-5-9-17(20)21(26)24(18)3/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)

InChI Key

KSIHFMXCVNWZSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.714

Distribution Coefficient, logD

2.714

Water Solubility, LogSw

-3.12

Polar Surface Area

47.462

Acid Dissociation Constant (pKa)

12.94

Base Dissociation Constant (pKb)

4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.00

P066-0825 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P066-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P066-0825?
Check Price and Availability of P066-0825, 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 P066-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P066-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P066-0825
  • 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 P066-0825 available by request