V015-9488 Screening compound: 2-({[2-cyclopropanecarbonyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-1,3-oxazole-4-carboxamide

V015-9488 Screening compound: 2-({[2-cyclopropanecarbonyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-1,3-oxazole-4-carboxamide
V015-9488 Screening compound: 2-({[2-cyclopropanecarbonyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-9488
2-({[2-cyclopropanecarbonyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-(prop-2-en-1-yl)-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

V015-9488

Molecular Formula

C28H29N3O4 (C28 H29 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(c2c(CC3)ccc(OCc4nc(C(NCC=C)=O)co4)c2)N3C(C2CC2)=O)c1

InChI

InChI=1S/C28H29N3O4/c1-3-12-29-27(32)24-16-35-25(30-24)17-34-22-10-9-19-11-13-31(28(33)20-7-8-20)26(23(19)15-22)21-6-4-5-18(2)14-21/h3-6,9-10,14-16,20,26H,1,7-8,11-13,17H2,2H3,(H,29,32)/t26-/m0/s1

InChI Key

YDOGDDWFAZZLHT-SANMLTNESA-N

MDL Number (MFCD)

MFCD19918079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.56

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

4.569

Distribution Coefficient, logD

4.569

Water Solubility, LogSw

-4.44

Polar Surface Area

66.544

Acid Dissociation Constant (pKa)

13.32

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.10

V015-9488 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V015-9488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-9488?
Check Price and Availability of V015-9488, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V015-9488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-9488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-9488
  • 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 V015-9488 available by request