V025-0555 Screening compound: 2-({[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide

V025-0555 Screening compound: 2-({[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
V025-0555 Screening compound: 2-({[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-0555
2-({[1-(3-fluorophenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(4-fluorophenyl)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

V025-0555

Molecular Formula

C30H27F2N3O4 (C30 H27 F2 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(CC1)C(c2cccc(F)c2)c2c1ccc(OCc1nc(C(NCc(cc3)ccc3F)=O)co1)c2)=O

InChI

InChI=1S/C30H27F2N3O4/c1-2-28(36)35-13-12-20-8-11-24(15-25(20)29(35)21-4-3-5-23(32)14-21)38-18-27-34-26(17-39-27)30(37)33-16-19-6-9-22(31)10-7-19/h3-11,14-15,17,29H,2,12-13,16,18H2,1H3,(H,33,37)/t29-/m0/s1

InChI Key

JGETXDAGOAZBTL-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19917680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.56

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

5.139

Distribution Coefficient, logD

5.139

Water Solubility, LogSw

-5.06

Polar Surface Area

65.652

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

-3.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.30

References: we are preparing a list of scientific research reports with V025-0555 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-0555?
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What is the minimum amount of V025-0555 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-0555
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-0555
  • 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 V025-0555 available by request