V024-1391 Screening compound: 2-({[2-acetyl-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

V024-1391 Screening compound: 2-({[2-acetyl-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
V024-1391 Screening compound: 2-({[2-acetyl-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-1391
2-({[2-acetyl-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-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

V024-1391

Molecular Formula

C29H25F2N3O3S (C29 H25 F2 N3 O3 S)

Compound Name

2-({[2-acetyl-1-(3-fluorophenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide

IUPAC name

2-({[2-acetyl-1-(3-fluorophenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(3-fluorophenyl)methyl]-13-thiazole-4-carboxamide

SMILES

CC(N(CC1)C(c2cc(F)ccc2)c2c1ccc(OCc1nc(C(NCc3cc(F)ccc3)=O)cs1)c2)=O

InChI

InChI=1S/C29H25F2N3O3S/c1-18(35)34-11-10-20-8-9-24(14-25(20)28(34)21-5-3-7-23(31)13-21)37-16-27-33-26(17-38-27)29(36)32-15-19-4-2-6-22(30)12-19/h2-9,12-14,17,28H,10-11,15-16H2,1H3,(H,32,36)/t28-/m0/s1

InChI Key

PZVZOIMMRJQZSF-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19916949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.396

Distribution Coefficient, logD

5.396

Water Solubility, LogSw

-5.45

Polar Surface Area

58.742

Acid Dissociation Constant (pKa)

12.64

Base Dissociation Constant (pKb)

-3.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.69

V024-1391 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V024-1391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-1391?
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What is the minimum amount of V024-1391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-1391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-1391
  • 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 V024-1391 available by request