V025-5756 Screening compound: N-(2-fluorophenyl)-6,7-dimethoxy-1-[(2-phenylacetamido)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

V025-5756 Screening compound: N-(2-fluorophenyl)-6,7-dimethoxy-1-[(2-phenylacetamido)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
V025-5756 Screening compound: N-(2-fluorophenyl)-6,7-dimethoxy-1-[(2-phenylacetamido)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-5756
N-(2-fluorophenyl)-6,7-dimethoxy-1-[(2-phenylacetamido)methyl]-1,2,3,4-tetrahydroisoquinoline-2-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

V025-5756

Molecular Formula

C27H28FN3O4 (C27 H28 FN3 O4)

Compound Name

N-(2-fluorophenyl)-6,7-dimethoxy-1-[(2-phenylacetamido)methyl]-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

IUPAC name

N-(2-fluorophenyl)-67-dimethoxy-1-[(2-phenylacetamido)methyl]-1234-tetrahydroisoquinoline-2-carboxamide

SMILES

COc1cc(CCN(C2CNC(Cc3ccccc3)=O)C(Nc(cccc3)c3F)=O)c2cc1OC

InChI

InChI=1S/C27H28FN3O4/c1-34-24-15-19-12-13-31(27(33)30-22-11-7-6-10-21(22)28)23(20(19)16-25(24)35-2)17-29-26(32)14-18-8-4-3-5-9-18/h3-11,15-16,23H,12-14,17H2,1-2H3,(H,29,32)(H,30,33)/t23-/m0/s1

InChI Key

LXKAPWRXHBXNFS-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD19823489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.306

Distribution Coefficient, logD

3.306

Water Solubility, LogSw

-3.71

Polar Surface Area

63.669

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V025-5756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-5756?
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What is the minimum amount of V025-5756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-5756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-5756
  • 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 V025-5756 available by request