V022-8415 Screening compound: 2-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-ethyl-1,3-oxazole-4-carboxamide

V022-8415 Screening compound: 2-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-ethyl-1,3-oxazole-4-carboxamide
V022-8415 Screening compound: 2-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-ethyl-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-8415
2-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-ethyl-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

V022-8415

Molecular Formula

C27H29N3O4 (C27 H29 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCNC(c1coc(COc2cc(C(c3ccc(C)cc3)N(CC3)C(C4CC4)=O)c3cc2)n1)=O

InChI

InChI=1S/C27H29N3O4/c1-3-28-26(31)23-15-34-24(29-23)16-33-21-11-10-18-12-13-30(27(32)20-8-9-20)25(22(18)14-21)19-6-4-17(2)5-7-19/h4-7,10-11,14-15,20,25H,3,8-9,12-13,16H2,1-2H3,(H,28,31)/t25-/m0/s1

InChI Key

BKHFZRLGBIASMO-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19917597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.264

Distribution Coefficient, logD

4.264

Water Solubility, LogSw

-4.23

Polar Surface Area

66.329

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

References: we are preparing a list of scientific research reports with V022-8415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-8415?
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What is the minimum amount of V022-8415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-8415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-8415
  • 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 V022-8415 available by request