V014-5665 Screening compound: ethyl 4-({[3-(cyclopropylcarbamoyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)phenyl]carbamoyl}amino)benzoate

V014-5665 Screening compound: ethyl 4-({[3-(cyclopropylcarbamoyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)phenyl]carbamoyl}amino)benzoate
V014-5665 Screening compound: ethyl 4-({[3-(cyclopropylcarbamoyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)phenyl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5665
ethyl 4-({[3-(cyclopropylcarbamoyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)phenyl]carbamoyl}amino)benzoate

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

V014-5665

Molecular Formula

C29H30N4O4 (C29 H30 N4 O4)

Compound Name

ethyl 4-({[3-(cyclopropylcarbamoyl)-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)phenyl]carbamoyl}amino)benzoate

IUPAC name

ethyl 4-({[3-(cyclopropylcarbamoyl)-4-(1234-tetrahydroisoquinolin-2-yl)phenyl]carbamoyl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1NC(Nc(cc1)cc(C(NC2CC2)=O)c1N(CC1)Cc2c1cccc2)=O)=O

InChI

InChI=1S/C29H30N4O4/c1-2-37-28(35)20-7-9-23(10-8-20)31-29(36)32-24-13-14-26(25(17-24)27(34)30-22-11-12-22)33-16-15-19-5-3-4-6-21(19)18-33/h3-10,13-14,17,22H,2,11-12,15-16,18H2,1H3,(H,30,34)(H2,31,32,36)

InChI Key

GNVHMLUTMRZPJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14241704

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

498.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.997

Distribution Coefficient, logD

5.997

Water Solubility, LogSw

-5.49

Polar Surface Area

80.578

Acid Dissociation Constant (pKa)

11.81

Base Dissociation Constant (pKb)

7.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

V014-5665 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with V014-5665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5665?
Check Price and Availability of V014-5665, 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 V014-5665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5665
  • 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 V014-5665 available by request