V031-1785 Screening compound: 2-({[2-cyclopropanecarbonyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide

V031-1785 Screening compound: 2-({[2-cyclopropanecarbonyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
V031-1785 Screening compound: 2-({[2-cyclopropanecarbonyl-1-(3-methylphenyl)-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 V031-1785
2-({[2-cyclopropanecarbonyl-1-(3-methylphenyl)-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

V031-1785

Molecular Formula

C32H30FN3O4 (C32 H30 FN3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(c2c(CC3)ccc(OCc4nc(C(NCc(cc5)ccc5F)=O)co4)c2)N3C(C2CC2)=O)c1

InChI

InChI=1S/C32H30FN3O4/c1-20-3-2-4-24(15-20)30-27-16-26(12-9-22(27)13-14-36(30)32(38)23-7-8-23)39-19-29-35-28(18-40-29)31(37)34-17-21-5-10-25(33)11-6-21/h2-6,9-12,15-16,18,23,30H,7-8,13-14,17,19H2,1H3,(H,34,37)/t30-/m0/s1

InChI Key

VWNLKRBXVPFKNX-PMERELPUSA-N

MDL Number (MFCD)

MFCD19917791

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

539.61

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

5.768

Distribution Coefficient, logD

5.768

Water Solubility, LogSw

-5.49

Polar Surface Area

66.431

Acid Dissociation Constant (pKa)

12.22

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.10

References: we are preparing a list of scientific research reports with V031-1785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V031-1785?
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What is the minimum amount of V031-1785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V031-1785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V031-1785
  • 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 V031-1785 available by request