V021-6273 Screening compound: 2-{[1-(4-methylphenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide

V021-6273 Screening compound: 2-{[1-(4-methylphenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide
V021-6273 Screening compound: 2-{[1-(4-methylphenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-6273
2-{[1-(4-methylphenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide

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

V021-6273

Molecular Formula

C29H38N2O4 (C29 H38 N2 O4)

Compound Name

2-{[1-(4-methylphenyl)-2-(2-methylpropanoyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide

IUPAC name

2-{[1-(4-methylphenyl)-2-(2-methylpropanoyl)-1234-tetrahydroisoquinolin-7-yl]oxy}-N-[(oxolan-2-yl)methyl]butanamide

SMILES

CCC(C(NCC1OCCC1)=O)Oc1cc(C(c2ccc(C)cc2)N(CC2)C(C(C)C)=O)c2cc1

InChI

InChI=1S/C29H38N2O4/c1-5-26(28(32)30-18-24-7-6-16-34-24)35-23-13-12-21-14-15-31(29(33)19(2)3)27(25(21)17-23)22-10-8-20(4)9-11-22/h8-13,17,19,24,26-27H,5-7,14-16,18H2,1-4H3,(H,30,32)

InChI Key

NLQYKKXXJLQLMP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19916223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.63

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.980

Distribution Coefficient, logD

4.980

Water Solubility, LogSw

-4.55

Polar Surface Area

55.873

Acid Dissociation Constant (pKa)

13.89

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

51.72

V021-6273 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V021-6273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-6273?
Check Price and Availability of V021-6273, 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 V021-6273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-6273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-6273
  • 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 V021-6273 available by request