V015-1076 Screening compound: 2-[3,4-dihydro-2(1H)-isoquinolinyl]-5-{[(4-ethylanilino)carbonyl]amino}-N~1~-phenethylbenzamide

V015-1076 Screening compound: 2-[3,4-dihydro-2(1H)-isoquinolinyl]-5-{[(4-ethylanilino)carbonyl]amino}-N~1~-phenethylbenzamide
V015-1076 Screening compound: 2-[3,4-dihydro-2(1H)-isoquinolinyl]-5-{[(4-ethylanilino)carbonyl]amino}-N~1~-phenethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-1076
2-[3,4-dihydro-2(1H)-isoquinolinyl]-5-{[(4-ethylanilino)carbonyl]amino}-N~1~-phenethylbenzamide

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

V015-1076

Molecular Formula

C33H34N4O2 (C33 H34 N4 O2)

Compound Name

2-[3,4-dihydro-2(1H)-isoquinolinyl]-5-{[(4-ethylanilino)carbonyl]amino}-N~1~-phenethylbenzamide

IUPAC name

n/a

SMILES

CCc(cc1)ccc1NC(Nc(cc1)cc(C(NCCc2ccccc2)=O)c1N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C33H34N4O2/c1-2-24-12-14-28(15-13-24)35-33(39)36-29-16-17-31(37-21-19-26-10-6-7-11-27(26)23-37)30(22-29)32(38)34-20-18-25-8-4-3-5-9-25/h3-17,22H,2,18-21,23H2,1H3,(H,34,38)(H2,35,36,39)

InChI Key

DBBOFORAFHNUOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14241672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.66

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.304

Distribution Coefficient, logD

7.304

Water Solubility, LogSw

-5.70

Polar Surface Area

59.610

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.20

V015-1076 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V015-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-1076?
Check Price and Availability of V015-1076, 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 V015-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-1076
  • 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 V015-1076 available by request