V021-6669 Screening compound: 2-({[1-(4-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(furan-2-yl)methyl]-1,3-oxazole-4-carboxamide

V021-6669 Screening compound: 2-({[1-(4-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(furan-2-yl)methyl]-1,3-oxazole-4-carboxamide
V021-6669 Screening compound: 2-({[1-(4-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(furan-2-yl)methyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6669
2-({[1-(4-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(furan-2-yl)methyl]-1,3-oxazole-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

V021-6669

Molecular Formula

C28H26FN3O5 (C28 H26 FN3 O5)

Compound Name

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

IUPAC name

2-({[1-(4-fluorophenyl)-2-propanoyl-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(furan-2-yl)methyl]-13-oxazole-4-carboxamide

SMILES

CCC(N(CC1)C(c(cc2)ccc2F)c2c1ccc(OCc1nc(C(NCc3ccco3)=O)co1)c2)=O

InChI

InChI=1S/C28H26FN3O5/c1-2-26(33)32-12-11-18-7-10-21(14-23(18)27(32)19-5-8-20(29)9-6-19)36-17-25-31-24(16-37-25)28(34)30-15-22-4-3-13-35-22/h3-10,13-14,16,27H,2,11-12,15,17H2,1H3,(H,30,34)/t27-/m0/s1

InChI Key

JOKYXONWZVHEBF-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19917377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.803

Distribution Coefficient, logD

4.803

Water Solubility, LogSw

-4.53

Polar Surface Area

73.401

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V021-6669 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 V021-6669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6669?
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What is the minimum amount of V021-6669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6669
  • 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 V021-6669 available by request