P368-0886 Screening compound: N-[(3-bromophenyl)methyl]-2-cyclopropanecarbonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

P368-0886 Screening compound: N-[(3-bromophenyl)methyl]-2-cyclopropanecarbonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
P368-0886 Screening compound: N-[(3-bromophenyl)methyl]-2-cyclopropanecarbonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P368-0886
N-[(3-bromophenyl)methyl]-2-cyclopropanecarbonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

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

P368-0886

Molecular Formula

C21H21BrN2O2 (C21 H21 BrN2 O2)

Compound Name

N-[(3-bromophenyl)methyl]-2-cyclopropanecarbonyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

IUPAC name

N-[(3-bromophenyl)methyl]-2-cyclopropanecarbonyl-1234-tetrahydroisoquinoline-1-carboxamide

SMILES

O=C(C1CC1)N(CC1)C(C(NCc2cccc(Br)c2)=O)c2c1cccc2

InChI

InChI=1S/C21H21BrN2O2/c22-17-6-3-4-14(12-17)13-23-20(25)19-18-7-2-1-5-15(18)10-11-24(19)21(26)16-8-9-16/h1-7,12,16,19H,8-11,13H2,(H,23,25)/t19-/m1/s1

InChI Key

WOFWCYJGVCNNGU-LJQANCHMSA-N

MDL Number (MFCD)

MFCD27573941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.808

Distribution Coefficient, logD

3.808

Water Solubility, LogSw

-4.06

Polar Surface Area

41.069

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

P368-0886 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 P368-0886 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P368-0886?
Check Price and Availability of P368-0886, 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 P368-0886 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P368-0886
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P368-0886
  • 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 P368-0886 available by request