P578-0122 Screening compound: 2-{1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}-1,2,3,4-tetrahydroisoquinoline

P578-0122 Screening compound: 2-{1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}-1,2,3,4-tetrahydroisoquinoline
P578-0122 Screening compound: 2-{1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound P578-0122
2-{1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}-1,2,3,4-tetrahydroisoquinoline

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

P578-0122

Molecular Formula

C23H26N6O (C23 H26 N6 O)

Compound Name

2-{1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1H-imidazole-4-carbonyl}-1234-tetrahydroisoquinoline

SMILES

CC(CC1)CCN1c1cc(-n2cnc(C(N(CC3)Cc4c3cccc4)=O)c2)ncn1

InChI

InChI=1S/C23H26N6O/c1-17-6-9-27(10-7-17)21-12-22(25-15-24-21)29-14-20(26-16-29)23(30)28-11-8-18-4-2-3-5-19(18)13-28/h2-5,12,14-17H,6-11,13H2,1H3

InChI Key

RIUIBNBXYXZLGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27605336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.512

Distribution Coefficient, logD

4.511

Water Solubility, LogSw

-4.17

Polar Surface Area

50.976

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

P578-0122 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with P578-0122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P578-0122?
Check Price and Availability of P578-0122, 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 P578-0122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P578-0122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P578-0122
  • 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 P578-0122 available by request