V014-5872 Screening compound: N~1~-cyclopropyl-5-{[(2,4-difluoroanilino)carbonyl]amino}-2-[3,4-dihydro-2(1H)-isoquinolinyl]benzamide

V014-5872 Screening compound: N~1~-cyclopropyl-5-{[(2,4-difluoroanilino)carbonyl]amino}-2-[3,4-dihydro-2(1H)-isoquinolinyl]benzamide
V014-5872 Screening compound: N~1~-cyclopropyl-5-{[(2,4-difluoroanilino)carbonyl]amino}-2-[3,4-dihydro-2(1H)-isoquinolinyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5872
N~1~-cyclopropyl-5-{[(2,4-difluoroanilino)carbonyl]amino}-2-[3,4-dihydro-2(1H)-isoquinolinyl]benzamide

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

V014-5872

Molecular Formula

C26H24F2N4O2 (C26 H24 F2 N4 O2)

Compound Name

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

IUPAC name

N-cyclopropyl-5-{[(24-difluorophenyl)carbamoyl]amino}-2-(1234-tetrahydroisoquinolin-2-yl)benzamide

SMILES

O=C(c(cc(cc1)NC(Nc(ccc(F)c2)c2F)=O)c1N(CC1)Cc2c1cccc2)NC1CC1

InChI

InChI=1S/C26H24F2N4O2/c27-18-5-9-23(22(28)13-18)31-26(34)30-20-8-10-24(21(14-20)25(33)29-19-6-7-19)32-12-11-16-3-1-2-4-17(16)15-32/h1-5,8-10,13-14,19H,6-7,11-12,15H2,(H,29,33)(H2,30,31,34)

InChI Key

UPDNRPYLRQDNOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14241709

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.313

Distribution Coefficient, logD

5.311

Water Solubility, LogSw

-5.62

Polar Surface Area

59.127

Acid Dissociation Constant (pKa)

9.81

Base Dissociation Constant (pKb)

7.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

V014-5872 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with V014-5872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5872?
Check Price and Availability of V014-5872, 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 V014-5872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5872
  • 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 V014-5872 available by request