P368-0891 Screening compound: 2-cyclopropanecarbonyl-N-[1-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

P368-0891 Screening compound: 2-cyclopropanecarbonyl-N-[1-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
P368-0891 Screening compound: 2-cyclopropanecarbonyl-N-[1-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P368-0891
2-cyclopropanecarbonyl-N-[1-(4-fluorophenyl)ethyl]-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

P368-0891

Molecular Formula

C22H23FN2O2 (C22 H23 FN2 O2)

Compound Name

2-cyclopropanecarbonyl-N-[1-(4-fluorophenyl)ethyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

IUPAC name

2-cyclopropanecarbonyl-N-[1-(4-fluorophenyl)ethyl]-1234-tetrahydroisoquinoline-1-carboxamide

SMILES

CC(c(cc1)ccc1F)NC(C(c1c(CC2)cccc1)N2C(C1CC1)=O)=O

InChI

InChI=1S/C22H23FN2O2/c1-14(15-8-10-18(23)11-9-15)24-21(26)20-19-5-3-2-4-16(19)12-13-25(20)22(27)17-6-7-17/h2-5,8-11,14,17,20H,6-7,12-13H2,1H3,(H,24,26)

InChI Key

LURFBUKGRXQUGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27573944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

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

3.583

Distribution Coefficient, logD

3.583

Water Solubility, LogSw

-3.54

Polar Surface Area

40.232

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

P368-0891 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with P368-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P368-0891?
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What is the minimum amount of P368-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P368-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P368-0891
  • 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 P368-0891 available by request