P368-0131 Screening compound: 2-acetyl-N~1~-(3-chlorobenzyl)-1,2,3,4-tetrahydro-1-isoquinolinecarboxamide

P368-0131 Screening compound: 2-acetyl-N~1~-(3-chlorobenzyl)-1,2,3,4-tetrahydro-1-isoquinolinecarboxamide
P368-0131 Screening compound: 2-acetyl-N~1~-(3-chlorobenzyl)-1,2,3,4-tetrahydro-1-isoquinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P368-0131
2-acetyl-N~1~-(3-chlorobenzyl)-1,2,3,4-tetrahydro-1-isoquinolinecarboxamide

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

P368-0131

Molecular Formula

C19H19ClN2O2 (C19 H19 ClN2 O2)

Compound Name

2-acetyl-N~1~-(3-chlorobenzyl)-1,2,3,4-tetrahydro-1-isoquinolinecarboxamide

IUPAC name

n/a

SMILES

CC(N(CC1)C(C(NCc2cccc(Cl)c2)=O)c2c1cccc2)=O

InChI

InChI=1S/C19H19ClN2O2/c1-13(23)22-10-9-15-6-2-3-8-17(15)18(22)19(24)21-12-14-5-4-7-16(20)11-14/h2-8,11,18H,9-10,12H2,1H3,(H,21,24)/t18-/m1/s1

InChI Key

NHYHKDJFXRYXEZ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27573846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.930

Distribution Coefficient, logD

2.930

Water Solubility, LogSw

-3.54

Polar Surface Area

41.286

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

P368-0131 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P368-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P368-0131?
Check Price and Availability of P368-0131, 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 P368-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P368-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P368-0131
  • 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 P368-0131 available by request