V028-4996 Screening compound: 2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(propan-2-yl)propanamide

V028-4996 Screening compound: 2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(propan-2-yl)propanamide
V028-4996 Screening compound: 2-{[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-(propan-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-4996
2-{[1-(3-fluorophenyl)-2-propanoyl-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

V028-4996

Molecular Formula

C24H29FN2O3 (C24 H29 FN2 O3)

Compound Name

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

IUPAC name

2-{[1-(3-fluorophenyl)-2-propanoyl-1234-tetrahydroisoquinolin-7-yl]oxy}-N-(propan-2-yl)propanamide

SMILES

CCC(N(CC1)C(c2cccc(F)c2)c2c1ccc(OC(C)C(NC(C)C)=O)c2)=O

InChI

InChI=1S/C24H29FN2O3/c1-5-22(28)27-12-11-17-9-10-20(30-16(4)24(29)26-15(2)3)14-21(17)23(27)18-7-6-8-19(25)13-18/h6-10,13-16,23H,5,11-12H2,1-4H3,(H,26,29)

InChI Key

STAZXAOIJSSAMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.5

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

4.327

Distribution Coefficient, logD

4.327

Water Solubility, LogSw

-4.17

Polar Surface Area

46.054

Acid Dissociation Constant (pKa)

15.23

Base Dissociation Constant (pKb)

5.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with V028-4996 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-4996?
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What is the minimum amount of V028-4996 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-4996
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-4996
  • 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 V028-4996 available by request