V022-8457 Screening compound: 2-{[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(propan-2-yl)propanamide

V022-8457 Screening compound: 2-{[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(propan-2-yl)propanamide
V022-8457 Screening compound: 2-{[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(propan-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-8457
2-{[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(propan-2-yl)propanamide

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

V022-8457

Molecular Formula

C26H32N2O3 (C26 H32 N2 O3)

Compound Name

2-{[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(propan-2-yl)propanamide

IUPAC name

2-{[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}-N-(propan-2-yl)propanamide

SMILES

CC(C)NC(C(C)Oc1cc(C(c2ccc(C)cc2)N(CC2)C(C3CC3)=O)c2cc1)=O

InChI

InChI=1S/C26H32N2O3/c1-16(2)27-25(29)18(4)31-22-12-11-19-13-14-28(26(30)21-9-10-21)24(23(19)15-22)20-7-5-17(3)6-8-20/h5-8,11-12,15-16,18,21,24H,9-10,13-14H2,1-4H3,(H,27,29)

InChI Key

NUFHRTCVXQQOSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.842

Distribution Coefficient, logD

4.842

Water Solubility, LogSw

-4.53

Polar Surface Area

46.833

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.20

V022-8457 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V022-8457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-8457?
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What is the minimum amount of V022-8457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-8457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-8457
  • 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 V022-8457 available by request