V005-0351 Screening compound: 2-({[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(furan-2-yl)methyl]-1,3-thiazole-4-carboxamide

V005-0351 Screening compound: 2-({[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(furan-2-yl)methyl]-1,3-thiazole-4-carboxamide
V005-0351 Screening compound: 2-({[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(furan-2-yl)methyl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-0351
2-({[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(furan-2-yl)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

V005-0351

Molecular Formula

C28H26FN3O4S (C28 H26 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(CC1)C(c2cc(F)ccc2)c2c1ccc(OCc1nc(C(NCc3ccco3)=O)cs1)c2)=O

InChI

InChI=1S/C28H26FN3O4S/c1-2-26(33)32-11-10-18-8-9-21(14-23(18)27(32)19-5-3-6-20(29)13-19)36-16-25-31-24(17-37-25)28(34)30-15-22-7-4-12-35-22/h3-9,12-14,17,27H,2,10-11,15-16H2,1H3,(H,30,34)/t27-/m0/s1

InChI Key

OINAFBLGWSWXJK-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19916529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.628

Distribution Coefficient, logD

5.628

Water Solubility, LogSw

-5.45

Polar Surface Area

65.496

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with V005-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-0351?
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What is the minimum amount of V005-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-0351
  • 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 V005-0351 available by request