V003-9471 Screening compound: N-benzyl-5-({[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide

V003-9471 Screening compound: N-benzyl-5-({[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide
V003-9471 Screening compound: N-benzyl-5-({[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9471
N-benzyl-5-({[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-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

V003-9471

Molecular Formula

C32H31FN2O4 (C32 H31 FN2 O4)

Compound Name

N-benzyl-5-({[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide

IUPAC name

N-benzyl-5-({[1-(3-fluorophenyl)-2-(2-methylpropanoyl)-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)furan-2-carboxamide

SMILES

CC(C)C(N(CC1)C(c2cccc(F)c2)c2c1ccc(OCc1ccc(C(NCc3ccccc3)=O)o1)c2)=O

InChI

InChI=1S/C32H31FN2O4/c1-21(2)32(37)35-16-15-23-11-12-26(18-28(23)30(35)24-9-6-10-25(33)17-24)38-20-27-13-14-29(39-27)31(36)34-19-22-7-4-3-5-8-22/h3-14,17-18,21,30H,15-16,19-20H2,1-2H3,(H,34,36)/t30-/m0/s1

InChI Key

HQAUXAUAITUTKI-PMERELPUSA-N

MDL Number (MFCD)

MFCD19917628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.189

Distribution Coefficient, logD

6.189

Water Solubility, LogSw

-5.53

Polar Surface Area

55.615

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V003-9471 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 V003-9471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9471?
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What is the minimum amount of V003-9471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9471
  • 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 V003-9471 available by request